1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C22H23N9O — CID 135185317

IUPAC1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cn([C@@H]2CCC[C@H]2O)nn1
InChIInChI=1S/C22H23N9O/c1-13(2)27-17-7-21(31-22-15(10-26-31)6-14(8-23)9-25-22)24-11-16(17)18-12-30(29-28-18)19-4-3-5-20(19)32/h6-7,9-13,19-20,32H,3-5H2,1-2H3,(H,24,27)/t19-,20-/m1/s1
InChIKeyAONABYGFBZESDJ-WOJBJXKFSA-N
MW429.49 g/mol
LogP2.85
Rot. Bonds5

About 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135185317) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135185317
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cn([C@@H]2CCC[C@H]2O)nn1
InChIInChI=1S/C22H23N9O/c1-13(2)27-17-7-21(31-22-15(10-26-31)6-14(8-23)9-25-22)24-11-16(17)18-12-30(29-28-18)19-4-3-5-20(19)32/h6-7,9-13,19-20,32H,3-5H2,1-2H3,(H,24,27)/t19-,20-/m1/s1
InChIKeyAONABYGFBZESDJ-WOJBJXKFSA-N
XLogP2.85
TPSA130.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile with MolForge

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Related Compounds

2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 53261751
2-(4-(1-(Pyrazolo[1,5-a]pyridin-5-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol
CID 53262518
2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 53262572
2-[4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 53262625
2-[4-[3-[(1R)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68289397
2-[4-[3-[(1S)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68353991
US10336761, Example 309
CID 126484202
US10336761, Example 126
CID 135262382
(3R,4R)-1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridazin-3-yl]-3-(dimethylamino)piperidin-4-ol
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[(2S)-1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]pyrrolidin-2-yl]methanol
CID 86707186
trans-(1S,2S)-2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]cyclopentan-1-ol
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2-[[3-cyano-1-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]indazol-5-yl]amino]-4-(ethylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 89931476

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135185317) is 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cn([C@@H]2CCC[C@H]2O)nn1.
What is the InChIKey of 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is AONABYGFBZESDJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H23N9O/c1-13(2)27-17-7-21(31-22-15(10-26-31)6-14(8-23)9-25-22)24-11-16(17)18-12-30(29-28-18)19-4-3-5-20(19)32/h6-7,9-13,19-20,32H,3-5H2,1-2H3,(H,24,27)/t19-,20-/m1/s1.
What are the key properties of 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 429.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(1R,2R)-2-hydroxycyclopentyl]triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135185317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).