1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile

C16H14ClN7 — CID 67451931

IUPAC1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile
SMILESCC(C)(Nc1ncc(-n2cc(C#N)cn2)cn1)c1ncccc1Cl
InChIInChI=1S/C16H14ClN7/c1-16(2,14-13(17)4-3-5-19-14)23-15-20-8-12(9-21-15)24-10-11(6-18)7-22-24/h3-5,7-10H,1-2H3,(H,20,21,23)
InChIKeyMDNVZALGEFGGFH-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.93
Rot. Bonds4

About 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile

1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile (PubChem CID 67451931) has the molecular formula C16H14ClN7 and a molecular weight of 339.79 g/mol. Its IUPAC name is 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile
PubChem CID67451931
Molecular FormulaC16H14ClN7
Molecular Weight339.79 g/mol
Exact Mass339.10
IUPAC Name1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile
SMILESCC(C)(Nc1ncc(-n2cc(C#N)cn2)cn1)c1ncccc1Cl
InChIInChI=1S/C16H14ClN7/c1-16(2,14-13(17)4-3-5-19-14)23-15-20-8-12(9-21-15)24-10-11(6-18)7-22-24/h3-5,7-10H,1-2H3,(H,20,21,23)
InChIKeyMDNVZALGEFGGFH-UHFFFAOYSA-N
XLogP2.93
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Amdizalisib
CID 118981804
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Arylpyrazole, 20
CID 44143420
4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine
CID 49800100
3-Chloro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 90646678
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
4-Amino-6-((1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl)amino)pyrimidine-5-carbonitrile
CID 118981805
ORL1 antagonist 1
CID 44143417

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile (CID 67451931) is 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile is CC(C)(Nc1ncc(-n2cc(C#N)cn2)cn1)c1ncccc1Cl.
What is the InChIKey of 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile?
The InChIKey is MDNVZALGEFGGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7/c1-16(2,14-13(17)4-3-5-19-14)23-15-20-8-12(9-21-15)24-10-11(6-18)7-22-24/h3-5,7-10H,1-2H3,(H,20,21,23).
What are the key properties of 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile?
1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile has a molecular weight of 339.79 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 67451931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).