N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide

C26H28N6O4 — CID 171839908

IUPACN-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(-c2cnn([C@H]3COC[C@H]3OC)c2)cccc1-c1nn(C)c2cnc(NC(=O)C3CC3)cc12
InChIInChI=1S/C26H28N6O4/c1-31-20-11-27-23(29-26(33)15-7-8-15)9-19(20)24(30-31)18-6-4-5-17(25(18)35-3)16-10-28-32(12-16)21-13-36-14-22(21)34-2/h4-6,9-12,15,21-22H,7-8,13-14H2,1-3H3,(H,27,29,33)/t21-,22+/m0/s1
InChIKeyRLPYNFMRTPFMNI-FCHUYYIVSA-N
MW488.55 g/mol
LogP3.44
Rot. Bonds7

About N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide

N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 171839908) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID171839908
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC NameN-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESCOc1c(-c2cnn([C@H]3COC[C@H]3OC)c2)cccc1-c1nn(C)c2cnc(NC(=O)C3CC3)cc12
InChIInChI=1S/C26H28N6O4/c1-31-20-11-27-23(29-26(33)15-7-8-15)9-19(20)24(30-31)18-6-4-5-17(25(18)35-3)16-10-28-32(12-16)21-13-36-14-22(21)34-2/h4-6,9-12,15,21-22H,7-8,13-14H2,1-3H3,(H,27,29,33)/t21-,22+/m0/s1
InChIKeyRLPYNFMRTPFMNI-FCHUYYIVSA-N
XLogP3.44
TPSA105.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[4-(trideuteriomethoxy)oxolan-3-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170966015
N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839946
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-4-iodooxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 174202291
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170966064
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965870
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(4-methoxyoxolan-3-yl)pyrazol-3-yl]anilino]pyridazine-3-carboxamide
CID 170965928
N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839960
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-5,8-dioxaspiro[3.4]octan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170965504
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-4-oxaspiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170965525
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965831

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide (CID 171839908) is N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide is COc1c(-c2cnn([C@H]3COC[C@H]3OC)c2)cccc1-c1nn(C)c2cnc(NC(=O)C3CC3)cc12.
What is the InChIKey of N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is RLPYNFMRTPFMNI-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-31-20-11-27-23(29-26(33)15-7-8-15)9-19(20)24(30-31)18-6-4-5-17(25(18)35-3)16-10-28-32(12-16)21-13-36-14-22(21)34-2/h4-6,9-12,15,21-22H,7-8,13-14H2,1-3H3,(H,27,29,33)/t21-,22+/m0/s1.
What are the key properties of N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 488.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171839908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).