N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

C19H22N6O2 — CID 121279751

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4cc[nH]c4n3)C2)n[nH]1
InChIInChI=1S/C19H22N6O2/c1-11(2)15-9-16(24-23-15)19(27)25-8-6-13(10-25)21-18(26)14-4-3-12-5-7-20-17(12)22-14/h3-5,7,9,11,13H,6,8,10H2,1-2H3,(H,20,22)(H,21,26)(H,23,24)
InChIKeyGFLBXVIXHJBMRD-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 121279751) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID121279751
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4cc[nH]c4n3)C2)n[nH]1
InChIInChI=1S/C19H22N6O2/c1-11(2)15-9-16(24-23-15)19(27)25-8-6-13(10-25)21-18(26)14-4-3-12-5-7-20-17(12)22-14/h3-5,7,9,11,13H,6,8,10H2,1-2H3,(H,20,22)(H,21,26)(H,23,24)
InChIKeyGFLBXVIXHJBMRD-UHFFFAOYSA-N
XLogP2.05
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (CID 121279751) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4cc[nH]c4n3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is GFLBXVIXHJBMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11(2)15-9-16(24-23-15)19(27)25-8-6-13(10-25)21-18(26)14-4-3-12-5-7-20-17(12)22-14/h3-5,7,9,11,13H,6,8,10H2,1-2H3,(H,20,22)(H,21,26)(H,23,24).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 121279751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).