6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide

C24H28F2N8O3 — CID 145103441

IUPAC6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide
SMILESCn1cnc(-c2cnc(N)c(OCC3CCN(c4cc(C(N)=O)nc(OC[C@@H]5CC5(F)F)n4)CC3)c2)c1
InChIInChI=1S/C24H28F2N8O3/c1-33-10-18(30-13-33)15-6-19(21(27)29-9-15)36-11-14-2-4-34(5-3-14)20-7-17(22(28)35)31-23(32-20)37-12-16-8-24(16,25)26/h6-7,9-10,13-14,16H,2-5,8,11-12H2,1H3,(H2,27,29)(H2,28,35)/t16-/m0/s1
InChIKeyTUVOWOHAADWDPU-INIZCTEOSA-N
MW514.54 g/mol
LogP2.28
Rot. Bonds9

About 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide

6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide (PubChem CID 145103441) has the molecular formula C24H28F2N8O3 and a molecular weight of 514.54 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide
PubChem CID145103441
Molecular FormulaC24H28F2N8O3
Molecular Weight514.54 g/mol
Exact Mass514.23
IUPAC Name6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide
SMILESCn1cnc(-c2cnc(N)c(OCC3CCN(c4cc(C(N)=O)nc(OC[C@@H]5CC5(F)F)n4)CC3)c2)c1
InChIInChI=1S/C24H28F2N8O3/c1-33-10-18(30-13-33)15-6-19(21(27)29-9-15)36-11-14-2-4-34(5-3-14)20-7-17(22(28)35)31-23(32-20)37-12-16-8-24(16,25)26/h6-7,9-10,13-14,16H,2-5,8,11-12H2,1H3,(H2,27,29)(H2,28,35)/t16-/m0/s1
InChIKeyTUVOWOHAADWDPU-INIZCTEOSA-N
XLogP2.28
TPSA147.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide (CID 145103441) is 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide is Cn1cnc(-c2cnc(N)c(OCC3CCN(c4cc(C(N)=O)nc(OC[C@@H]5CC5(F)F)n4)CC3)c2)c1.
What is the InChIKey of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide?
The InChIKey is TUVOWOHAADWDPU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28F2N8O3/c1-33-10-18(30-13-33)15-6-19(21(27)29-9-15)36-11-14-2-4-34(5-3-14)20-7-17(22(28)35)31-23(32-20)37-12-16-8-24(16,25)26/h6-7,9-10,13-14,16H,2-5,8,11-12H2,1H3,(H2,27,29)(H2,28,35)/t16-/m0/s1.
What are the key properties of 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide?
6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide has a molecular weight of 514.54 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-[[(1S)-2,2-difluorocyclopropyl]methoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 145103441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).