N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

C32H23N7O2 — CID 137109533

IUPACN-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCOc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)nc45)nc23)c1
InChIInChI=1S/C32H23N7O2/c1-41-23-10-5-9-20(16-23)24-11-6-12-26-28(24)37-31(36-26)30-29-27(38-39-30)14-13-25(35-29)21-15-22(18-33-17-21)34-32(40)19-7-3-2-4-8-19/h2-18H,1H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeySZHVYMUVRFDHAJ-UHFFFAOYSA-N
MW537.58 g/mol
LogP6.49
Rot. Bonds6

About N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137109533) has the molecular formula C32H23N7O2 and a molecular weight of 537.58 g/mol. Its IUPAC name is N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
PubChem CID137109533
Molecular FormulaC32H23N7O2
Molecular Weight537.58 g/mol
Exact Mass537.19
IUPAC NameN-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
SMILESCOc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)nc45)nc23)c1
InChIInChI=1S/C32H23N7O2/c1-41-23-10-5-9-20(16-23)24-11-6-12-26-28(24)37-31(36-26)30-29-27(38-39-30)14-13-25(35-29)21-15-22(18-33-17-21)34-32(40)19-7-3-2-4-8-19/h2-18H,1H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeySZHVYMUVRFDHAJ-UHFFFAOYSA-N
XLogP6.49
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.58
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137109533) is N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is COc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)c7ccccc7)c6)nc45)nc23)c1.
What is the InChIKey of N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
The InChIKey is SZHVYMUVRFDHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N7O2/c1-41-23-10-5-9-20(16-23)24-11-6-12-26-28(24)37-31(36-26)30-29-27(38-39-30)14-13-25(35-29)21-15-22(18-33-17-21)34-32(40)19-7-3-2-4-8-19/h2-18H,1H3,(H,34,40)(H,36,37)(H,38,39).
What are the key properties of N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 537.58 g/mol, XLogP of 6.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(3-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137109533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).