N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide

C21H18N4O2 — CID 47057730

IUPACN-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1cccc2cn[nH]c12
InChIInChI=1S/C21H18N4O2/c26-20(18-10-4-8-16-13-24-25-19(16)18)23-12-17-9-5-11-22-21(17)27-14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,26)(H,24,25)
InChIKeyNSUTYSPIKXJUQE-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.47
Rot. Bonds6

About N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide

N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide (PubChem CID 47057730) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
PubChem CID47057730
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1cccc2cn[nH]c12
InChIInChI=1S/C21H18N4O2/c26-20(18-10-4-8-16-13-24-25-19(16)18)23-12-17-9-5-11-22-21(17)27-14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,26)(H,24,25)
InChIKeyNSUTYSPIKXJUQE-UHFFFAOYSA-N
XLogP3.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60515107
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 78879326
N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47036742
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
CID 167961837
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 43048623
(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
CID 94186199
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide (CID 47057730) is N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide is O=C(NCc1cccnc1OCc1ccccc1)c1cccc2cn[nH]c12.
What is the InChIKey of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide?
The InChIKey is NSUTYSPIKXJUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20(18-10-4-8-16-13-24-25-19(16)18)23-12-17-9-5-11-22-21(17)27-14-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H,23,26)(H,24,25).
What are the key properties of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide?
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 47057730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).