7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C21H18N6O3 — CID 146592286

IUPAC7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4ncco4)ccn3)cc12
InChIInChI=1S/C21H18N6O3/c1-22-20(29)14-10-25-18(27-19(28)11-2-3-11)17-13(14)9-16(26-17)15-8-12(4-5-23-15)21-24-6-7-30-21/h4-11,26H,2-3H2,1H3,(H,22,29)(H,25,27,28)
InChIKeyQOPQXHMOQKSNNN-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.99
Rot. Bonds5

About 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592286) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592286
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4ncco4)ccn3)cc12
InChIInChI=1S/C21H18N6O3/c1-22-20(29)14-10-25-18(27-19(28)11-2-3-11)17-13(14)9-16(26-17)15-8-12(4-5-23-15)21-24-6-7-30-21/h4-11,26H,2-3H2,1H3,(H,22,29)(H,25,27,28)
InChIKeyQOPQXHMOQKSNNN-UHFFFAOYSA-N
XLogP2.99
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592286) is 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4ncco4)ccn3)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is QOPQXHMOQKSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-22-20(29)14-10-25-18(27-19(28)11-2-3-11)17-13(14)9-16(26-17)15-8-12(4-5-23-15)21-24-6-7-30-21/h4-11,26H,2-3H2,1H3,(H,22,29)(H,25,27,28).
What are the key properties of 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-N-methyl-2-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).