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

C23H28N8 — CID 142317262

IUPAC1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(C)n1ncc2nc(N3CCNCC3)nc(NCc3cnc4ccccc4c3)c21
InChIInChI=1S/C23H28N8/c1-3-16(2)31-21-20(15-27-31)28-23(30-10-8-24-9-11-30)29-22(21)26-14-17-12-18-6-4-5-7-19(18)25-13-17/h4-7,12-13,15-16,24H,3,8-11,14H2,1-2H3,(H,26,28,29)
InChIKeyBUNWTABPFHGQKW-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.37
Rot. Bonds6

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

1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 142317262) has the molecular formula C23H28N8 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID142317262
Molecular FormulaC23H28N8
Molecular Weight416.53 g/mol
Exact Mass416.24
IUPAC Name1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCC(C)n1ncc2nc(N3CCNCC3)nc(NCc3cnc4ccccc4c3)c21
InChIInChI=1S/C23H28N8/c1-3-16(2)31-21-20(15-27-31)28-23(30-10-8-24-9-11-30)29-22(21)26-14-17-12-18-6-4-5-7-19(18)25-13-17/h4-7,12-13,15-16,24H,3,8-11,14H2,1-2H3,(H,26,28,29)
InChIKeyBUNWTABPFHGQKW-UHFFFAOYSA-N
XLogP3.37
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[1-butan-2-yl-7-(quinolin-3-ylmethylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxamide
CID 134393368
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
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
2-(4-acetylpiperazin-1-yl)-6-[(2S)-butan-2-yl]-4-(quinolin-3-ylmethylamino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431898
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
1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 134393394
4-[7-hydroxy-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-2-one
CID 90900908
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-propan-2-yl-4-(quinolin-3-ylmethylamino)pyrrolo[3,4-d]pyrimidin-7-ol
CID 91152991
molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
CID 142196706
1-[7-oxo-6-propyl-4-(quinolin-3-ylmethylamino)-5H-pyrrolo[3,4-d]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 68724014

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 142317262) is 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCC(C)n1ncc2nc(N3CCNCC3)nc(NCc3cnc4ccccc4c3)c21.
What is the InChIKey of 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BUNWTABPFHGQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8/c1-3-16(2)31-21-20(15-27-31)28-23(30-10-8-24-9-11-30)29-22(21)26-14-17-12-18-6-4-5-7-19(18)25-13-17/h4-7,12-13,15-16,24H,3,8-11,14H2,1-2H3,(H,26,28,29).
What are the key properties of 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 416.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-piperazin-1-yl-N-(quinolin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 142317262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).