methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate

C21H17F2N5O2 — CID 170422415

IUPACmethyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cc(-c3ccc(C(F)F)cc3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C21H17F2N5O2/c1-30-21(29)26-17-10-13(6-7-25-17)14-8-15(18-16(9-14)20(24)28-27-18)11-2-4-12(5-3-11)19(22)23/h2-10,19H,1H3,(H3,24,27,28)(H,25,26,29)
InChIKeyDMEJVOITCAYTRI-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.99
Rot. Bonds4

About methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate

methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate (PubChem CID 170422415) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
PubChem CID170422415
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Namemethyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cc(-c3ccc(C(F)F)cc3)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C21H17F2N5O2/c1-30-21(29)26-17-10-13(6-7-25-17)14-8-15(18-16(9-14)20(24)28-27-18)11-2-4-12(5-3-11)19(22)23/h2-10,19H,1H3,(H3,24,27,28)(H,25,26,29)
InChIKeyDMEJVOITCAYTRI-UHFFFAOYSA-N
XLogP4.99
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[3-amino-7-[2-(1-hydroxycyclopentyl)ethynyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422445
methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422434
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
CID 170352373
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 170352157
1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea
CID 170352441
4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzenesulfonamide
CID 170352013
[4-[3-amino-7-(3-amino-3-methylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamic acid
CID 170351977
methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
CID 166473361
methyl N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-pyridinyl]carbamate;4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-amine
CID 175018464
3-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]benzamide
CID 170352278
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
1-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]-3-phenylurea
CID 170352100

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate (CID 170422415) is methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cc(-c3ccc(C(F)F)cc3)c3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate?
The InChIKey is DMEJVOITCAYTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-30-21(29)26-17-10-13(6-7-25-17)14-8-15(18-16(9-14)20(24)28-27-18)11-2-4-12(5-3-11)19(22)23/h2-10,19H,1H3,(H3,24,27,28)(H,25,26,29).
What are the key properties of methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate?
methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate has a molecular weight of 409.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 170422415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).