3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile

C16H20N6O — CID 167213113

IUPAC3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile
SMILESC[C@@H]1COCCN1c1cc(C2(C#N)CCNC2)c2cn[nH]c2n1
InChIInChI=1S/C16H20N6O/c1-11-8-23-5-4-22(11)14-6-13(12-7-19-21-15(12)20-14)16(9-17)2-3-18-10-16/h6-7,11,18H,2-5,8,10H2,1H3,(H,19,20,21)/t11-,16?/m1/s1
InChIKeySVUVPBJGMJOFNF-ZVDHGWRTSA-N
MW312.38 g/mol
LogP0.94
Rot. Bonds2

About 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile

3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile (PubChem CID 167213113) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile
PubChem CID167213113
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile
SMILESC[C@@H]1COCCN1c1cc(C2(C#N)CCNC2)c2cn[nH]c2n1
InChIInChI=1S/C16H20N6O/c1-11-8-23-5-4-22(11)14-6-13(12-7-19-21-15(12)20-14)16(9-17)2-3-18-10-16/h6-7,11,18H,2-5,8,10H2,1H3,(H,19,20,21)/t11-,16?/m1/s1
InChIKeySVUVPBJGMJOFNF-ZVDHGWRTSA-N
XLogP0.94
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313336
(Z)-3-amino-N'-[4-(3-cyanopyrrolidin-3-yl)-3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]prop-2-enimidamide
CID 166527558
dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane
CID 176598541
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclopentane-1-carbonitrile
CID 166927935
4-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxane-4-carbonitrile
CID 167020344
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile
CID 169304962
4-[3-chloro-5-[(3R)-3-methylmorpholin-4-yl]-2H-[1,3]thiazolo[4,5-b]pyridin-7-yl]oxane-4-carbonitrile
CID 169061211
N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine
CID 166928271
dimethyl-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 174205306
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
methyl 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[4,5-b]pyridine-7-carboxylate
CID 151820966
4-[5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-1-yl]benzonitrile
CID 150118551

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile?
The IUPAC name of 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile (CID 167213113) is 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile is C[C@@H]1COCCN1c1cc(C2(C#N)CCNC2)c2cn[nH]c2n1.
What is the InChIKey of 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile?
The InChIKey is SVUVPBJGMJOFNF-ZVDHGWRTSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-8-23-5-4-22(11)14-6-13(12-7-19-21-15(12)20-14)16(9-17)2-3-18-10-16/h6-7,11,18H,2-5,8,10H2,1H3,(H,19,20,21)/t11-,16?/m1/s1.
What are the key properties of 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile?
3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile has a molecular weight of 312.38 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 167213113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).