4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C22H23FN8O — CID 90383491

IUPAC4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1
InChIInChI=1S/C22H23FN8O/c1-13-8-14(2)25-18(9-13)17-11-24-29(3)20(17)21(32)26-16-5-7-31-19(10-16)27-22(28-31)30-6-4-15(23)12-30/h5,7-11,15H,4,6,12H2,1-3H3,(H,26,32)/t15-/m0/s1
InChIKeyNXSIXHNWYWVWOT-HNNXBMFYSA-N
MW434.48 g/mol
LogP2.94
Rot. Bonds4

About 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383491) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383491
Molecular FormulaC22H23FN8O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1
InChIInChI=1S/C22H23FN8O/c1-13-8-14(2)25-18(9-13)17-11-24-29(3)20(17)21(32)26-16-5-7-31-19(10-16)27-22(28-31)30-6-4-15(23)12-30/h5,7-11,15H,4,6,12H2,1-3H3,(H,26,32)/t15-/m0/s1
InChIKeyNXSIXHNWYWVWOT-HNNXBMFYSA-N
XLogP2.94
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383491) is 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cc1cc(C)nc(-c2cnn(C)c2C(=O)Nc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.
What is the InChIKey of 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is NXSIXHNWYWVWOT-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23FN8O/c1-13-8-14(2)25-18(9-13)17-11-24-29(3)20(17)21(32)26-16-5-7-31-19(10-16)27-22(28-31)30-6-4-15(23)12-30/h5,7-11,15H,4,6,12H2,1-3H3,(H,26,32)/t15-/m0/s1.
What are the key properties of 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-pyridinyl)-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).