N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide

C26H21N7OS — CID 137014654

IUPACN-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7OS/c1-2-3-22(34)29-18-10-17(12-27-13-18)15-4-5-21-20(11-15)24(33-32-21)26-30-23-19(16-7-9-35-14-16)6-8-28-25(23)31-26/h4-14H,2-3H2,1H3,(H,29,34)(H,32,33)(H,28,30,31)
InChIKeyLAJGJMXOMVDJNP-UHFFFAOYSA-N
MW479.57 g/mol
LogP6.03
Rot. Bonds6

About N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide

N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 137014654) has the molecular formula C26H21N7OS and a molecular weight of 479.57 g/mol. Its IUPAC name is N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
PubChem CID137014654
Molecular FormulaC26H21N7OS
Molecular Weight479.57 g/mol
Exact Mass479.15
IUPAC NameN-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)c1
InChIInChI=1S/C26H21N7OS/c1-2-3-22(34)29-18-10-17(12-27-13-18)15-4-5-21-20(11-15)24(33-32-21)26-30-23-19(16-7-9-35-14-16)6-8-28-25(23)31-26/h4-14H,2-3H2,1H3,(H,29,34)(H,32,33)(H,28,30,31)
InChIKeyLAJGJMXOMVDJNP-UHFFFAOYSA-N
XLogP6.03
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The IUPAC name of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 137014654) is N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The canonical SMILES for N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
The InChIKey is LAJGJMXOMVDJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7OS/c1-2-3-22(34)29-18-10-17(12-27-13-18)15-4-5-21-20(11-15)24(33-32-21)26-30-23-19(16-7-9-35-14-16)6-8-28-25(23)31-26/h4-14H,2-3H2,1H3,(H,29,34)(H,32,33)(H,28,30,31).
What are the key properties of N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?
N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 479.57 g/mol, XLogP of 6.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137014654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).