tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate

C27H30FN5O3 — CID 160608752

IUPACtert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate
SMILESCOc1ncc(-c2cnc3c(c2C2(CN)CC2)-c2cc(F)cc(N(C)C(=O)OC(C)(C)C)c2C3)cn1
InChIInChI=1S/C27H30FN5O3/c1-26(2,3)36-25(34)33(4)21-9-16(28)8-18-17(21)10-20-22(18)23(27(14-29)6-7-27)19(13-30-20)15-11-31-24(35-5)32-12-15/h8-9,11-13H,6-7,10,14,29H2,1-5H3
InChIKeyHIHDPQJUHKJDFZ-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.62
Rot. Bonds5

About tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate

tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate (PubChem CID 160608752) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate
PubChem CID160608752
Molecular FormulaC27H30FN5O3
Molecular Weight491.57 g/mol
Exact Mass491.23
IUPAC Nametert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate
SMILESCOc1ncc(-c2cnc3c(c2C2(CN)CC2)-c2cc(F)cc(N(C)C(=O)OC(C)(C)C)c2C3)cn1
InChIInChI=1S/C27H30FN5O3/c1-26(2,3)36-25(34)33(4)21-9-16(28)8-18-17(21)10-20-22(18)23(27(14-29)6-7-27)19(13-30-20)15-11-31-24(35-5)32-12-15/h8-9,11-13H,6-7,10,14,29H2,1-5H3
InChIKeyHIHDPQJUHKJDFZ-UHFFFAOYSA-N
XLogP4.62
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-amine
CID 159595912
tert-butyl 2-[5-[3-chloro-5,6-difluoro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-9H-indeno[2,1-b]pyridin-4-yl]-5-azaspiro[2.4]heptan-2-yl]acetate
CID 158844486
N-(3,4-dichloro-6-fluoro-9H-indeno[2,1-b]pyridin-8-yl)-N-dimethylboronamidic acid
CID 158241433
tert-butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylcarbamate
CID 70663708
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
1-[5-[4-(dimethylamino)-8-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
CID 156778415
tert-butyl N-(5-fluoro-2-nitrophenyl)-N-methylcarbamate
CID 135346466
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
CID 89243683
tert-butyl N-(4-fluoro-1-methylisoquinolin-5-yl)-N-methylcarbamate
CID 154693219
tert-butyl N-methyl-N-(3-methylisoquinolin-5-yl)carbamate
CID 155583435
tert-butyl N-(2-amino-3,5-difluorophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 122618961
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133063651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate (CID 160608752) is tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate is COc1ncc(-c2cnc3c(c2C2(CN)CC2)-c2cc(F)cc(N(C)C(=O)OC(C)(C)C)c2C3)cn1.
What is the InChIKey of tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate?
The InChIKey is HIHDPQJUHKJDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-26(2,3)36-25(34)33(4)21-9-16(28)8-18-17(21)10-20-22(18)23(27(14-29)6-7-27)19(13-30-20)15-11-31-24(35-5)32-12-15/h8-9,11-13H,6-7,10,14,29H2,1-5H3.
What are the key properties of tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate?
tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate has a molecular weight of 491.57 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-6-fluoro-3-(2-methoxypyrimidin-5-yl)-9H-indeno[2,1-b]pyridin-8-yl]-N-methylcarbamate is sourced from PubChem (CID 160608752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).