2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide

C18H20N4O — CID 44549779

IUPAC2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide
SMILESCC(C)NCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C18H20N4O/c1-12(2)20-10-13-6-8-15(9-7-13)22-11-14-4-3-5-16(18(19)23)17(14)21-22/h3-9,11-12,20H,10H2,1-2H3,(H2,19,23)
InChIKeyNGZCRLHKURIRJC-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.62
Rot. Bonds5

About 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide

2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide (PubChem CID 44549779) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide
PubChem CID44549779
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide
SMILESCC(C)NCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C18H20N4O/c1-12(2)20-10-13-6-8-15(9-7-13)22-11-14-4-3-5-16(18(19)23)17(14)21-22/h3-9,11-12,20H,10H2,1-2H3,(H2,19,23)
InChIKeyNGZCRLHKURIRJC-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide (CID 44549779) is 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide is CC(C)NCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide?
The InChIKey is NGZCRLHKURIRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)20-10-13-6-8-15(9-7-13)22-11-14-4-3-5-16(18(19)23)17(14)21-22/h3-9,11-12,20H,10H2,1-2H3,(H2,19,23).
What are the key properties of 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide?
2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(propan-2-ylamino)methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).