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

C18H15N7O — CID 139334151

IUPAC1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1ccno1
InChIInChI=1S/C18H15N7O/c1-11(2)24-15-6-17(20-10-14(15)16-3-4-23-26-16)25-18-13(9-22-25)5-12(7-19)8-21-18/h3-6,8-11H,1-2H3,(H,20,24)
InChIKeyOSRVBAPAPPHZEI-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.16
Rot. Bonds4

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

1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 139334151) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID139334151
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1ccno1
InChIInChI=1S/C18H15N7O/c1-11(2)24-15-6-17(20-10-14(15)16-3-4-23-26-16)25-18-13(9-22-25)5-12(7-19)8-21-18/h3-6,8-11H,1-2H3,(H,20,24)
InChIKeyOSRVBAPAPPHZEI-UHFFFAOYSA-N
XLogP3.16
TPSA105.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706470
3,5-Dimethyl-4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-oxazole
CID 74767042
3-(5-Phenyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592031
1-Propan-2-yl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 126592040
N'-[3-(3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546472
N-[3-(3-methyl-1,2-oxazol-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328131
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206707
US10294229, Example 422
CID 124160143
US10294229, Example 421
CID 124160604
US10294229, Example 432
CID 124159964
US10294229, Example 407
CID 124160409
US10294229, Example 426
CID 135185299

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 139334151) is 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1ccno1.
What is the InChIKey of 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is OSRVBAPAPPHZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-11(2)24-15-6-17(20-10-14(15)16-3-4-23-26-16)25-18-13(9-22-25)5-12(7-19)8-21-18/h3-6,8-11H,1-2H3,(H,20,24).
What are the key properties of 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 345.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 139334151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).