1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine

C20H21ClN6 — CID 134393394

IUPAC1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(C)n1ncc2nc(Cl)nc(N[C@H](C)c3cnc4ccccc4c3)c21
InChIInChI=1S/C20H21ClN6/c1-4-12(2)27-18-17(11-23-27)25-20(21)26-19(18)24-13(3)15-9-14-7-5-6-8-16(14)22-10-15/h5-13H,4H2,1-3H3,(H,24,25,26)/t12?,13-/m1/s1
InChIKeyXVQYTVOISBICHI-ZGTCLIOFSA-N
MW380.88 g/mol
LogP5.17
Rot. Bonds5

About 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine

1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 134393394) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID134393394
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC Name1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(C)n1ncc2nc(Cl)nc(N[C@H](C)c3cnc4ccccc4c3)c21
InChIInChI=1S/C20H21ClN6/c1-4-12(2)27-18-17(11-23-27)25-20(21)26-19(18)24-13(3)15-9-14-7-5-6-8-16(14)22-10-15/h5-13H,4H2,1-3H3,(H,24,25,26)/t12?,13-/m1/s1
InChIKeyXVQYTVOISBICHI-ZGTCLIOFSA-N
XLogP5.17
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperazin-1-yl]ethanone
CID 134393388
4-[1-butan-2-yl-7-(1-quinolin-3-ylethylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxamide
CID 138502920
1-butan-2-yl-5-chloro-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-pyridazin-3-ylpyrazolo[4,5-d]pyrimidin-7-amine;diiodovanadium;3-methylpyridazine
CID 157292292
1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
CID 134393390
1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
CID 134393427
1-butan-2-yl-N-cyclopropyl-7-[[cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
CID 137374885
4-[1-butan-2-yl-7-[[cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-sulfonamide
CID 137374892
4-[1-[(2S)-butan-2-yl]-7-[(2-hydroxy-1-quinolin-3-ylethyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxamide
CID 134393391
1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;1-butan-2-yl-5-[1-[2-[dimethyl(propan-2-yl)silyl]oxyethyl]pyrazol-4-yl]-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine;2-[4-[1-butan-2-yl-7-[[(1R)-1-quinolin-3-ylethyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazol-1-yl]ethanol;tert-butyl-dimethyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;palladium;tetrakis(triphenylphosphane)
CID 165079620
4-[1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]-N'-cyanopiperazine-1-carboximidamide
CID 134393411
4-[1-[(2S)-butan-2-yl]-7-[1-(6,7-difluoroquinolin-3-yl)ethylamino]pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxamide
CID 134393372
1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 142317262

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine (CID 134393394) is 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine is CCC(C)n1ncc2nc(Cl)nc(N[C@H](C)c3cnc4ccccc4c3)c21.
What is the InChIKey of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XVQYTVOISBICHI-ZGTCLIOFSA-N. The full InChI is InChI=1S/C20H21ClN6/c1-4-12(2)27-18-17(11-23-27)25-20(21)26-19(18)24-13(3)15-9-14-7-5-6-8-16(14)22-10-15/h5-13H,4H2,1-3H3,(H,24,25,26)/t12?,13-/m1/s1.
What are the key properties of 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine?
1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 380.88 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 134393394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).