N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

C22H26N4O3 — CID 146254727

IUPACN-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOCC4)c3c2)c1
InChIInChI=1S/C22H26N4O3/c1-14(2)29-18-9-17(12-23-13-18)16-3-4-20-19(10-16)21(26-25-20)22(27)24-11-15-5-7-28-8-6-15/h3-4,9-10,12-15H,5-8,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyGIGLFCYZHQSMBV-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.57
Rot. Bonds6

About N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 146254727) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID146254727
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC(C)Oc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOCC4)c3c2)c1
InChIInChI=1S/C22H26N4O3/c1-14(2)29-18-9-17(12-23-13-18)16-3-4-20-19(10-16)21(26-25-20)22(27)24-11-15-5-7-28-8-6-15/h3-4,9-10,12-15H,5-8,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyGIGLFCYZHQSMBV-UHFFFAOYSA-N
XLogP3.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
(3Z)-5-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 16731836
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
(2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine
CID 46225540
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indol-2-one
CID 10237631
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505
5-{5-[(2S)-2-amino-3-(3-phenylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731507
5-{5-[(2S)-2-amino-3-(4-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731662
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 146254727) is N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is CC(C)Oc1cncc(-c2ccc3[nH]nc(C(=O)NCC4CCOCC4)c3c2)c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is GIGLFCYZHQSMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)29-18-9-17(12-23-13-18)16-3-4-20-19(10-16)21(26-25-20)22(27)24-11-15-5-7-28-8-6-15/h3-4,9-10,12-15H,5-8,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 146254727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).