tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate

C17H18ClN5O2 — CID 141413175

IUPACtert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate
SMILESCc1cc2[nH]ncc2cc1N(C(=O)OC(C)(C)C)c1ccnc(Cl)n1
InChIInChI=1S/C17H18ClN5O2/c1-10-7-12-11(9-20-22-12)8-13(10)23(16(24)25-17(2,3)4)14-5-6-19-15(18)21-14/h5-9H,1-4H3,(H,20,22)
InChIKeyWLCMNJKBLRKZFF-UHFFFAOYSA-N
MW359.82 g/mol
LogP4.39
Rot. Bonds2

About tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate

tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate (PubChem CID 141413175) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate
PubChem CID141413175
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Nametert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate
SMILESCc1cc2[nH]ncc2cc1N(C(=O)OC(C)(C)C)c1ccnc(Cl)n1
InChIInChI=1S/C17H18ClN5O2/c1-10-7-12-11(9-20-22-12)8-13(10)23(16(24)25-17(2,3)4)14-5-6-19-15(18)21-14/h5-9H,1-4H3,(H,20,22)
InChIKeyWLCMNJKBLRKZFF-UHFFFAOYSA-N
XLogP4.39
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate (CID 141413175) is tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate is Cc1cc2[nH]ncc2cc1N(C(=O)OC(C)(C)C)c1ccnc(Cl)n1.
What is the InChIKey of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate?
The InChIKey is WLCMNJKBLRKZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10-7-12-11(9-20-22-12)8-13(10)23(16(24)25-17(2,3)4)14-5-6-19-15(18)21-14/h5-9H,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate?
tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate has a molecular weight of 359.82 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chloropyrimidin-4-yl)-N-(6-methyl-1H-indazol-5-yl)carbamate is sourced from PubChem (CID 141413175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).