4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C23H26N8O3S — CID 90241407

IUPAC4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccnc(N5CCN(S(C)(=O)=O)CC5)c4)cc3c2)c1C
InChIInChI=1S/C23H26N8O3S/c1-14-15(2)28-29-21(14)23(32)26-18-10-17-11-19(27-22(17)25-13-18)16-4-5-24-20(12-16)30-6-8-31(9-7-30)35(3,33)34/h4-5,10-13H,6-9H2,1-3H3,(H,25,27)(H,26,32)(H,28,29)
InChIKeyVUIDZZSGNNTUBO-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.30
Rot. Bonds5

About 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90241407) has the molecular formula C23H26N8O3S and a molecular weight of 494.58 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID90241407
Molecular FormulaC23H26N8O3S
Molecular Weight494.58 g/mol
Exact Mass494.18
IUPAC Name4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccnc(N5CCN(S(C)(=O)=O)CC5)c4)cc3c2)c1C
InChIInChI=1S/C23H26N8O3S/c1-14-15(2)28-29-21(14)23(32)26-18-10-17-11-19(27-22(17)25-13-18)16-4-5-24-20(12-16)30-6-8-31(9-7-30)35(3,33)34/h4-5,10-13H,6-9H2,1-3H3,(H,25,27)(H,26,32)(H,28,29)
InChIKeyVUIDZZSGNNTUBO-UHFFFAOYSA-N
XLogP2.30
TPSA139.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (CID 90241407) is 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4ccnc(N5CCN(S(C)(=O)=O)CC5)c4)cc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is VUIDZZSGNNTUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3S/c1-14-15(2)28-29-21(14)23(32)26-18-10-17-11-19(27-22(17)25-13-18)16-4-5-24-20(12-16)30-6-8-31(9-7-30)35(3,33)34/h4-5,10-13H,6-9H2,1-3H3,(H,25,27)(H,26,32)(H,28,29).
What are the key properties of 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 494.58 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90241407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).