1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

C24H35N5O2 — CID 86948708

IUPAC1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C(=O)N3CCCC3)C(C)C)c12
InChIInChI=1S/C24H35N5O2/c1-14(2)20(23(31)28-11-7-8-12-28)26-22(30)17-13-18(16-9-10-16)25-21-19(17)15(3)27-29(21)24(4,5)6/h13-14,16,20H,7-12H2,1-6H3,(H,26,30)/t20-/m0/s1
InChIKeyMBGZHNRRTUKFIC-FQEVSTJZSA-N
MW425.58 g/mol
LogP3.75
Rot. Bonds5

About 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86948708) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86948708
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C(=O)N3CCCC3)C(C)C)c12
InChIInChI=1S/C24H35N5O2/c1-14(2)20(23(31)28-11-7-8-12-28)26-22(30)17-13-18(16-9-10-16)25-21-19(17)15(3)27-29(21)24(4,5)6/h13-14,16,20H,7-12H2,1-6H3,(H,26,30)/t20-/m0/s1
InChIKeyMBGZHNRRTUKFIC-FQEVSTJZSA-N
XLogP3.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 86948708) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C(=O)N3CCCC3)C(C)C)c12.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MBGZHNRRTUKFIC-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-14(2)20(23(31)28-11-7-8-12-28)26-22(30)17-13-18(16-9-10-16)25-21-19(17)15(3)27-29(21)24(4,5)6/h13-14,16,20H,7-12H2,1-6H3,(H,26,30)/t20-/m0/s1.
What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86948708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).