1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide

C26H29N7O — CID 134393427

IUPAC1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
SMILESCCC(C)n1ncc2nc(C(=O)NC3CC3)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21
InChIInChI=1S/C26H29N7O/c1-3-15(2)33-23-21(14-28-33)30-25(26(34)29-19-10-11-19)32-24(23)31-22(16-8-9-16)18-12-17-6-4-5-7-20(17)27-13-18/h4-7,12-16,19,22H,3,8-11H2,1-2H3,(H,29,34)(H,30,31,32)/t15?,22-/m1/s1
InChIKeyNWRGLYBNGVNJRC-ZZAPORBBSA-N
MW455.57 g/mol
LogP4.80
Rot. Bonds8

About 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide

1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide (PubChem CID 134393427) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
PubChem CID134393427
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
SMILESCCC(C)n1ncc2nc(C(=O)NC3CC3)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21
InChIInChI=1S/C26H29N7O/c1-3-15(2)33-23-21(14-28-33)30-25(26(34)29-19-10-11-19)32-24(23)31-22(16-8-9-16)18-12-17-6-4-5-7-20(17)27-13-18/h4-7,12-16,19,22H,3,8-11H2,1-2H3,(H,29,34)(H,30,31,32)/t15?,22-/m1/s1
InChIKeyNWRGLYBNGVNJRC-ZZAPORBBSA-N
XLogP4.80
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-butan-2-yl-N-cyclopropyl-7-[[cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
CID 137374885
1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
CID 134393390
4-[1-butan-2-yl-7-[[cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-sulfonamide
CID 137374892
acetohydrazide;N'-acetyl-1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carbohydrazide;1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxylic acid;1-butan-2-yl-N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazolo[4,5-d]pyrimidin-7-amine;iodomethane;methane;phosphoryl trichloride
CID 158504859
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-(1-cyclopropylethyl)-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxylic acid
CID 155758937
1-butan-2-yl-5-chloro-N-[(1R)-1-quinolin-3-ylethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 134393394
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
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
4-[1-butan-2-yl-7-(1-quinolin-3-ylethylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxamide
CID 138502920
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
N-[(R)-cyclopropyl(quinolin-3-yl)methyl]-5-(1-methylpyrazol-4-yl)-1-(oxan-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 134393419

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide (CID 134393427) is 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide is CCC(C)n1ncc2nc(C(=O)NC3CC3)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21.
What is the InChIKey of 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
The InChIKey is NWRGLYBNGVNJRC-ZZAPORBBSA-N. The full InChI is InChI=1S/C26H29N7O/c1-3-15(2)33-23-21(14-28-33)30-25(26(34)29-19-10-11-19)32-24(23)31-22(16-8-9-16)18-12-17-6-4-5-7-20(17)27-13-18/h4-7,12-16,19,22H,3,8-11H2,1-2H3,(H,29,34)(H,30,31,32)/t15?,22-/m1/s1.
What are the key properties of 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-cyclopropyl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 134393427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).