5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H17ClN6 — CID 169098927

IUPAC5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC1(C)CC[C@H](Nc2cc(Cl)nc3c(C#N)cnn23)CN1
InChIInChI=1S/C14H17ClN6/c1-14(2)4-3-10(8-17-14)19-12-5-11(15)20-13-9(6-16)7-18-21(12)13/h5,7,10,17,19H,3-4,8H2,1-2H3/t10-/m0/s1
InChIKeyIMBKQBZRGMXVQC-JTQLQIEISA-N
MW304.79 g/mol
LogP2.20
Rot. Bonds2

About 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 169098927) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID169098927
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC1(C)CC[C@H](Nc2cc(Cl)nc3c(C#N)cnn23)CN1
InChIInChI=1S/C14H17ClN6/c1-14(2)4-3-10(8-17-14)19-12-5-11(15)20-13-9(6-16)7-18-21(12)13/h5,7,10,17,19H,3-4,8H2,1-2H3/t10-/m0/s1
InChIKeyIMBKQBZRGMXVQC-JTQLQIEISA-N
XLogP2.20
TPSA78.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104401
7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride
CID 175863783
7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104195
7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137348562
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide
CID 127045544
5-chloro-7-(cyclopropylamino)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 58314740
3-[(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5-fluorobenzonitrile
CID 155104328
5-[(4-aminocyclohexyl)amino]-7-(3-chloro-4-fluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 10250350
3,5-dichloro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122457230
3-[2-[[[5-[(6,6-dimethylpiperidin-3-yl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]benzamide
CID 175980084
2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 53487763
(E)-N-[3-[[[5-[[(3R)-6,6-dimethylpiperidin-3-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]but-2-enamide
CID 170599160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 169098927) is 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC1(C)CC[C@H](Nc2cc(Cl)nc3c(C#N)cnn23)CN1.
What is the InChIKey of 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is IMBKQBZRGMXVQC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN6/c1-14(2)4-3-10(8-17-14)19-12-5-11(15)20-13-9(6-16)7-18-21(12)13/h5,7,10,17,19H,3-4,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 304.79 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 169098927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).