4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide

C20H19ClN6O2 — CID 76684708

IUPAC4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)C5CC5)C4)cc3c2)c1Cl
InChIInChI=1S/C20H19ClN6O2/c1-10-16(21)17(26-25-10)19(28)23-14-6-13-7-15(24-18(13)22-8-14)12-4-5-27(9-12)20(29)11-2-3-11/h4,6-8,11H,2-3,5,9H2,1H3,(H,22,24)(H,23,28)(H,25,26)
InChIKeyHPFMKABOUWTCND-UHFFFAOYSA-N
MW410.87 g/mol
LogP3.14
Rot. Bonds4

About 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide

4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 76684708) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID76684708
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)C5CC5)C4)cc3c2)c1Cl
InChIInChI=1S/C20H19ClN6O2/c1-10-16(21)17(26-25-10)19(28)23-14-6-13-7-15(24-18(13)22-8-14)12-4-5-27(9-12)20(29)11-2-3-11/h4,6-8,11H,2-3,5,9H2,1H3,(H,22,24)(H,23,28)(H,25,26)
InChIKeyHPFMKABOUWTCND-UHFFFAOYSA-N
XLogP3.14
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-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 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide (CID 76684708) is 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)C5CC5)C4)cc3c2)c1Cl.
What is the InChIKey of 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is HPFMKABOUWTCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-10-16(21)17(26-25-10)19(28)23-14-6-13-7-15(24-18(13)22-8-14)12-4-5-27(9-12)20(29)11-2-3-11/h4,6-8,11H,2-3,5,9H2,1H3,(H,22,24)(H,23,28)(H,25,26).
What are the key properties of 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide?
4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-(cyclopropanecarbonyl)-2,5-dihydropyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76684708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).