1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C21H30N4O2 — CID 94241436

IUPAC1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@@H]3CCCO3)c12
InChIInChI=1S/C21H30N4O2/c1-12(17-7-6-10-27-17)22-20(26)15-11-16(14-8-9-14)23-19-18(15)13(2)24-25(19)21(3,4)5/h11-12,14,17H,6-10H2,1-5H3,(H,22,26)/t12-,17+/m1/s1
InChIKeySBQCBPZAYSJTFJ-PXAZEXFGSA-N
MW370.50 g/mol
LogP3.67
Rot. Bonds4

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

1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 94241436) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID94241436
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@@H]3CCCO3)c12
InChIInChI=1S/C21H30N4O2/c1-12(17-7-6-10-27-17)22-20(26)15-11-16(14-8-9-14)23-19-18(15)13(2)24-25(19)21(3,4)5/h11-12,14,17H,6-10H2,1-5H3,(H,22,26)/t12-,17+/m1/s1
InChIKeySBQCBPZAYSJTFJ-PXAZEXFGSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.67
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-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 94241436) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@@H]3CCCO3)c12.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SBQCBPZAYSJTFJ-PXAZEXFGSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-12(17-7-6-10-27-17)22-20(26)15-11-16(14-8-9-14)23-19-18(15)13(2)24-25(19)21(3,4)5/h11-12,14,17H,6-10H2,1-5H3,(H,22,26)/t12-,17+/m1/s1.
What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.67, 4 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-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 94241436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).