N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide

C23H24N6O — CID 58980061

IUPACN-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C23H24N6O/c1-2-29-15-20(18-9-11-24-22-19(18)10-12-25-22)21(27-29)16-5-7-17(8-6-16)26-23(30)28-13-3-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,24,25)(H,26,30)
InChIKeyIQACMOSSBMGRDQ-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.74
Rot. Bonds4

About N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide

N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 58980061) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID58980061
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C23H24N6O/c1-2-29-15-20(18-9-11-24-22-19(18)10-12-25-22)21(27-29)16-5-7-17(8-6-16)26-23(30)28-13-3-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,24,25)(H,26,30)
InChIKeyIQACMOSSBMGRDQ-UHFFFAOYSA-N
XLogP4.74
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]morpholine-4-carboxamide
CID 58980051
1-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-pyridin-4-ylurea
CID 58980040
1-(1,2-dihydropyridin-5-yl)-3-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
CID 59703326
4-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 151444691
1-cyclohexyl-3-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
CID 44587528
N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]piperidine-1-carboxamide
CID 70964851
N-[4-[1-ethyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 58980003
1,1-diethyl-3-[4-[1-ethyl-4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]urea
CID 24816135
1-[4-[1-ethyl-4-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46888684
1-[4-[1-(1,2-dihydroxyethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-phenylurea
CID 58980009
3-[4-[1-ethyl-4-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-1,1-dimethylurea
CID 58980055
methyl N-[4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethylpyrazol-3-yl]phenyl]carbamate
CID 70964916

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide (CID 58980061) is N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide is CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)N3CCCC3)cc2)n1.
What is the InChIKey of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is IQACMOSSBMGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-2-29-15-20(18-9-11-24-22-19(18)10-12-25-22)21(27-29)16-5-7-17(8-6-16)26-23(30)28-13-3-4-14-28/h5-12,15H,2-4,13-14H2,1H3,(H,24,25)(H,26,30).
What are the key properties of N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58980061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).