N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide

C23H20N6O2 — CID 155068395

IUPACN-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide
SMILESO=C(NC(CCO)c1ccccc1)n1[nH]c(-c2ccncc2)c2cc3ncnc3cc21
InChIInChI=1S/C23H20N6O2/c30-11-8-18(15-4-2-1-3-5-15)27-23(31)29-21-13-20-19(25-14-26-20)12-17(21)22(28-29)16-6-9-24-10-7-16/h1-7,9-10,12-14,18,28,30H,8,11H2,(H,27,31)
InChIKeyLLAHPWXWDCCRHO-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.66
Rot. Bonds5

About N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide

N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide (PubChem CID 155068395) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide
PubChem CID155068395
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide
SMILESO=C(NC(CCO)c1ccccc1)n1[nH]c(-c2ccncc2)c2cc3ncnc3cc21
InChIInChI=1S/C23H20N6O2/c30-11-8-18(15-4-2-1-3-5-15)27-23(31)29-21-13-20-19(25-14-26-20)12-17(21)22(28-29)16-6-9-24-10-7-16/h1-7,9-10,12-14,18,28,30H,8,11H2,(H,27,31)
InChIKeyLLAHPWXWDCCRHO-UHFFFAOYSA-N
XLogP3.66
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide?
The IUPAC name of N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide (CID 155068395) is N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide is O=C(NC(CCO)c1ccccc1)n1[nH]c(-c2ccncc2)c2cc3ncnc3cc21.
What is the InChIKey of N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide?
The InChIKey is LLAHPWXWDCCRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-11-8-18(15-4-2-1-3-5-15)27-23(31)29-21-13-20-19(25-14-26-20)12-17(21)22(28-29)16-6-9-24-10-7-16/h1-7,9-10,12-14,18,28,30H,8,11H2,(H,27,31).
What are the key properties of N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide?
N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-phenylpropyl)-3-pyridin-4-yl-2H-imidazo[4,5-f]indazole-1-carboxamide is sourced from PubChem (CID 155068395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).