4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C23H27N7O3 — CID 86728016

IUPAC4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)N5CCOCC5)CC4)cc3c2)c1C
InChIInChI=1S/C23H27N7O3/c1-14-15(2)27-28-20(14)22(31)25-18-11-17-12-19(26-21(17)24-13-18)16-3-5-29(6-4-16)23(32)30-7-9-33-10-8-30/h3,11-13H,4-10H2,1-2H3,(H,24,26)(H,25,31)(H,27,28)
InChIKeyHGPWQALOHDNLFK-UHFFFAOYSA-N
MW449.52 g/mol
LogP2.70
Rot. Bonds3

About 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 86728016) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID86728016
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)N5CCOCC5)CC4)cc3c2)c1C
InChIInChI=1S/C23H27N7O3/c1-14-15(2)27-28-20(14)22(31)25-18-11-17-12-19(26-21(17)24-13-18)16-3-5-29(6-4-16)23(32)30-7-9-33-10-8-30/h3,11-13H,4-10H2,1-2H3,(H,24,26)(H,25,31)(H,27,28)
InChIKeyHGPWQALOHDNLFK-UHFFFAOYSA-N
XLogP2.70
TPSA119.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

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CID 126480563
CID 126480564
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CID 87382935

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (CID 86728016) is 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(C4=CCN(C(=O)N5CCOCC5)CC4)cc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HGPWQALOHDNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-14-15(2)27-28-20(14)22(31)25-18-11-17-12-19(26-21(17)24-13-18)16-3-5-29(6-4-16)23(32)30-7-9-33-10-8-30/h3,11-13H,4-10H2,1-2H3,(H,24,26)(H,25,31)(H,27,28).
What are the key properties of 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86728016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).