N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C20H20N6O3S — CID 71726627

IUPACN-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)nc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-2-7-26-13-17(12-24-26)30(28,29)16-4-3-15(22-11-16)10-23-20(27)19-8-14-9-21-6-5-18(14)25-19/h3-6,8-9,11-13,25H,2,7,10H2,1H3,(H,23,27)
InChIKeyBEVFKRCMQHWHJW-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.33
Rot. Bonds7

About N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 71726627) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID71726627
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC NameN-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)nc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-2-7-26-13-17(12-24-26)30(28,29)16-4-3-15(22-11-16)10-23-20(27)19-8-14-9-21-6-5-18(14)25-19/h3-6,8-9,11-13,25H,2,7,10H2,1H3,(H,23,27)
InChIKeyBEVFKRCMQHWHJW-UHFFFAOYSA-N
XLogP2.33
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 71726627) is N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)nc2)cn1.
What is the InChIKey of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is BEVFKRCMQHWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-2-7-26-13-17(12-24-26)30(28,29)16-4-3-15(22-11-16)10-23-20(27)19-8-14-9-21-6-5-18(14)25-19/h3-6,8-9,11-13,25H,2,7,10H2,1H3,(H,23,27).
What are the key properties of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 71726627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).