N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide

C20H25N5O3 — CID 56941655

IUPACN-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(C(C)C)c3)c12
InChIInChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyKROJTAOUSJBQLC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.92
Rot. Bonds6

About N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide

N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide (PubChem CID 56941655) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide
PubChem CID56941655
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(C(C)C)c3)c12
InChIInChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyKROJTAOUSJBQLC-UHFFFAOYSA-N
XLogP2.92
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57394348
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386
US10022354, Example 52
CID 121279730
N-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 57403072
N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047159
N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047563
(2R)-2-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137645361
2-ethyl-5-methyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
CID 9847268
3-(furan-2-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56941214
N,N-dimethyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide
CID 56941505

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide (CID 56941655) is N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide is CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(C(C)C)c3)c12.
What is the InChIKey of N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide?
The InChIKey is KROJTAOUSJBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-11(2)25-8-13(7-16(25)19(26)22-14-9-27-10-14)18-17-15(23-24-18)5-6-21-20(17)28-12(3)4/h5-8,11-12,14H,9-10H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide?
N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 56941655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).