N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

C21H24N4O3 — CID 146240887

IUPACN-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOC4)c3c2)c1
InChIInChI=1S/C21H24N4O3/c1-13(2)28-17-7-16(10-22-11-17)15-3-4-19-18(8-15)20(25-24-19)21(26)23-9-14-5-6-27-12-14/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyUOOCVQDYSOPSIJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.18
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 146240887) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID146240887
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOC4)c3c2)c1
InChIInChI=1S/C21H24N4O3/c1-13(2)28-17-7-16(10-22-11-17)15-3-4-19-18(8-15)20(25-24-19)21(26)23-9-14-5-6-27-12-14/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyUOOCVQDYSOPSIJ-UHFFFAOYSA-N
XLogP3.18
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 146240887) is N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is CC(C)Oc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOC4)c3c2)c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is UOOCVQDYSOPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)28-17-7-16(10-22-11-17)15-3-4-19-18(8-15)20(25-24-19)21(26)23-9-14-5-6-27-12-14/h3-4,7-8,10-11,13-14H,5-6,9,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 146240887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).