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

C23H25N7O — CID 134393390

IUPAC1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
SMILESCCC(C)n1ncc2nc(C(N)=O)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21
InChIInChI=1S/C23H25N7O/c1-3-13(2)30-20-18(12-26-30)27-23(21(24)31)29-22(20)28-19(14-8-9-14)16-10-15-6-4-5-7-17(15)25-11-16/h4-7,10-14,19H,3,8-9H2,1-2H3,(H2,24,31)(H,27,28,29)/t13?,19-/m1/s1
InChIKeyCUDOMHULXKXMCH-GAGCMDECSA-N
MW415.50 g/mol
LogP4.01
Rot. Bonds7

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

1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide (PubChem CID 134393390) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
PubChem CID134393390
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide
SMILESCCC(C)n1ncc2nc(C(N)=O)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21
InChIInChI=1S/C23H25N7O/c1-3-13(2)30-20-18(12-26-30)27-23(21(24)31)29-22(20)28-19(14-8-9-14)16-10-15-6-4-5-7-17(15)25-11-16/h4-7,10-14,19H,3,8-9H2,1-2H3,(H2,24,31)(H,27,28,29)/t13?,19-/m1/s1
InChIKeyCUDOMHULXKXMCH-GAGCMDECSA-N
XLogP4.01
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-butan-2-yl-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-[[(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-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidin-5-yl]-N'-cyanopiperazine-1-carboximidamide
CID 134393411
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-(1-quinolin-3-ylethylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxamide
CID 138502920
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-[(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-[(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
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
4-[1-butan-2-yl-7-(quinolin-3-ylmethylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperazine-1-carboxamide
CID 134393368

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide (CID 134393390) is 1-butan-2-yl-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-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide is CCC(C)n1ncc2nc(C(N)=O)nc(N[C@@H](c3cnc4ccccc4c3)C3CC3)c21.
What is the InChIKey of 1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
The InChIKey is CUDOMHULXKXMCH-GAGCMDECSA-N. The full InChI is InChI=1S/C23H25N7O/c1-3-13(2)30-20-18(12-26-30)27-23(21(24)31)29-22(20)28-19(14-8-9-14)16-10-15-6-4-5-7-17(15)25-11-16/h4-7,10-14,19H,3,8-9H2,1-2H3,(H2,24,31)(H,27,28,29)/t13?,19-/m1/s1.
What are the key properties of 1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide?
1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-7-[[(R)-cyclopropyl(quinolin-3-yl)methyl]amino]pyrazolo[4,5-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 134393390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).