methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite

C80H94FN21O3S — CID 167657680

IUPACmethane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite
SMILESC.CNC1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CN[C@@H]1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CN[C@H]1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CSF
InChIInChI=1S/3C26H29N7O.CH3FS.CH4/c3*1-17(2)22-16-30-33-11-7-18(12-24(22)33)23-6-9-28-25(31-23)13-20-4-5-21(15-29-20)32-10-8-19(27-3)14-26(32)34;1-3-2;/h3*4-7,9,11-12,15-17,19,27H,8,10,13-14H2,1-3H3;1H3;1H4/t2*19-;;;/m10.../s1
InChIKeyRMPWYNZRURBKIJ-UEWDSPRVSA-N
MW1448.84 g/mol
LogP12.72
Rot. Bonds18

About methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite

methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite (PubChem CID 167657680) has the molecular formula C80H94FN21O3S and a molecular weight of 1448.84 g/mol. Its IUPAC name is methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite.

Molecular Properties

Compound Namemethane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite
PubChem CID167657680
Molecular FormulaC80H94FN21O3S
Molecular Weight1448.84 g/mol
Exact Mass1447.76
IUPAC Namemethane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite
SMILESC.CNC1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CN[C@@H]1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CN[C@H]1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CSF
InChIInChI=1S/3C26H29N7O.CH3FS.CH4/c3*1-17(2)22-16-30-33-11-7-18(12-24(22)33)23-6-9-28-25(31-23)13-20-4-5-21(15-29-20)32-10-8-19(27-3)14-26(32)34;1-3-2;/h3*4-7,9,11-12,15-17,19,27H,8,10,13-14H2,1-3H3;1H3;1H4/t2*19-;;;/m10.../s1
InChIKeyRMPWYNZRURBKIJ-UEWDSPRVSA-N
XLogP12.72
TPSA264.93 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001448.84
LogP ≤ 512.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite?
The IUPAC name of methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite (CID 167657680) is methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite.
What is the SMILES notation for methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite?
The canonical SMILES for methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite is C.CNC1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CN[C@@H]1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CN[C@H]1CCN(c2ccc(Cc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)nc2)C(=O)C1.CSF.
What is the InChIKey of methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite?
The InChIKey is RMPWYNZRURBKIJ-UEWDSPRVSA-N. The full InChI is InChI=1S/3C26H29N7O.CH3FS.CH4/c3*1-17(2)22-16-30-33-11-7-18(12-24(22)33)23-6-9-28-25(31-23)13-20-4-5-21(15-29-20)32-10-8-19(27-3)14-26(32)34;1-3-2;/h3*4-7,9,11-12,15-17,19,27H,8,10,13-14H2,1-3H3;1H3;1H4/t2*19-;;;/m10.../s1.
What are the key properties of methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite?
methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite has a molecular weight of 1448.84 g/mol, XLogP of 12.72, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite is sourced from PubChem (CID 167657680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).