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

C18H18N6 — CID 138727745

IUPAC1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1
InChIInChI=1S/C18H18N6/c1-11(2)15-10-20-17(6-16(15)23-14-3-4-14)24-18-13(9-22-24)5-12(7-19)8-21-18/h5-6,8-11,14H,3-4H2,1-2H3,(H,20,23)
InChIKeyHFLMODNMKREMSS-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.38
Rot. Bonds4

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

1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 138727745) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID138727745
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC(C)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1
InChIInChI=1S/C18H18N6/c1-11(2)15-10-20-17(6-16(15)23-14-3-4-14)24-18-13(9-22-24)5-12(7-19)8-21-18/h5-6,8-11,14H,3-4H2,1-2H3,(H,20,23)
InChIKeyHFLMODNMKREMSS-UHFFFAOYSA-N
XLogP3.38
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406471
1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737835
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 145219191
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123641912
1-[5-(3-cyclohexyl-1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135200740
1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135185298
methyl 2-[2-[2-[4-[[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)pyridine-3-carbonyl]amino]-3-fluorobutan-2-yl]oxyethoxy]ethoxy]acetate
CID 138696630
1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139334151
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(3,3-difluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118207022
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206589
4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206491

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 138727745) is 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is CC(C)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1CC1.
What is the InChIKey of 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is HFLMODNMKREMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-11(2)15-10-20-17(6-16(15)23-14-3-4-14)24-18-13(9-22-24)5-12(7-19)8-21-18/h5-6,8-11,14H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 138727745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).