phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

C29H21N7OS — CID 137286962

IUPACphenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
SMILESOC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H21N7OS/c37-29(17-4-2-1-3-5-17)32-21-10-20(12-30-13-21)18-6-7-24-22(11-18)27(36-35-24)28-33-25-15-31-14-23(26(25)34-28)19-8-9-38-16-19/h1-16,29,32,37H,(H,33,34)(H,35,36)
InChIKeyPXQLVUQVCHTZQX-UHFFFAOYSA-N
MW515.60 g/mol
LogP6.39
Rot. Bonds6

About phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (PubChem CID 137286962) has the molecular formula C29H21N7OS and a molecular weight of 515.60 g/mol. Its IUPAC name is phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.

Molecular Properties

Compound Namephenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
PubChem CID137286962
Molecular FormulaC29H21N7OS
Molecular Weight515.60 g/mol
Exact Mass515.15
IUPAC Namephenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
SMILESOC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H21N7OS/c37-29(17-4-2-1-3-5-17)32-21-10-20(12-30-13-21)18-6-7-24-22(11-18)27(36-35-24)28-33-25-15-31-14-23(26(25)34-28)19-8-9-38-16-19/h1-16,29,32,37H,(H,33,34)(H,35,36)
InChIKeyPXQLVUQVCHTZQX-UHFFFAOYSA-N
XLogP6.39
TPSA115.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.60
LogP ≤ 56.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 46224696
CID 46224696
CID 46224698
CID 46224698
CID 46224704
CID 46224704
CID 136643054
CID 136643054
CID 136273256
CID 136273256
CID 136643031
CID 136643031
CID 136643073
CID 136643073
CID 137014596
CID 137014596
CID 137014654
CID 137014654
CID 137019247
CID 137019247
CID 137019316
CID 137019316
CID 134805797
CID 134805797

Frequently Asked Questions

What is the IUPAC name of phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The IUPAC name of phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (CID 137286962) is phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.
What is the SMILES notation for phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The canonical SMILES for phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is OC(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
The InChIKey is PXQLVUQVCHTZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N7OS/c37-29(17-4-2-1-3-5-17)32-21-10-20(12-30-13-21)18-6-7-24-22(11-18)27(36-35-24)28-33-25-15-31-14-23(26(25)34-28)19-8-9-38-16-19/h1-16,29,32,37H,(H,33,34)(H,35,36).
What are the key properties of phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?
phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol has a molecular weight of 515.60 g/mol, XLogP of 6.39, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is sourced from PubChem (CID 137286962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).