N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine

C29H32N6O — CID 170313586

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine
SMILESCc1c(-c2cccc3ccccc23)ncc2c(NC3C4CNCC43)nc(OC[C@@H]3CCCN3C)nc12
InChIInChI=1S/C29H32N6O/c1-17-25(21-11-5-8-18-7-3-4-10-20(18)21)31-15-24-26(17)33-29(36-16-19-9-6-12-35(19)2)34-28(24)32-27-22-13-30-14-23(22)27/h3-5,7-8,10-11,15,19,22-23,27,30H,6,9,12-14,16H2,1-2H3,(H,32,33,34)/t19-,22?,23?,27?/m0/s1
InChIKeyUZSWMGICOHEAMX-QOJIPSRZSA-N
MW480.62 g/mol
LogP4.26
Rot. Bonds6

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine

N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 170313586) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID170313586
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine
SMILESCc1c(-c2cccc3ccccc23)ncc2c(NC3C4CNCC43)nc(OC[C@@H]3CCCN3C)nc12
InChIInChI=1S/C29H32N6O/c1-17-25(21-11-5-8-18-7-3-4-10-20(18)21)31-15-24-26(17)33-29(36-16-19-9-6-12-35(19)2)34-28(24)32-27-22-13-30-14-23(22)27/h3-5,7-8,10-11,15,19,22-23,27,30H,6,9,12-14,16H2,1-2H3,(H,32,33,34)/t19-,22?,23?,27?/m0/s1
InChIKeyUZSWMGICOHEAMX-QOJIPSRZSA-N
XLogP4.26
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

tert-butyl 3-[8-methyl-7-(3-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 167546239
4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(6-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidine
CID 167560799
3-[4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]-2-methylaniline
CID 162766167
3-[8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-4-methylazepan-4-ol
CID 166157538
4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine
CID 166649357
2-fluoro-1-[(2R)-4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane
CID 158598664
tert-butyl 4-[8-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 155233295
7-(3,4-dihydro-2H-thiochromen-8-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine
CID 171412255
tert-butyl (1R,5S)-3-[8-fluoro-7-(6-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 164521535
4-[4-[3-(aminomethyl)pyrrolidin-1-yl]-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166157455
4-[4-(1,4-diazepan-1-yl)-8-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 164878662
2-[(2S)-4-[8-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
CID 155211212

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine (CID 170313586) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine is Cc1c(-c2cccc3ccccc23)ncc2c(NC3C4CNCC43)nc(OC[C@@H]3CCCN3C)nc12.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UZSWMGICOHEAMX-QOJIPSRZSA-N. The full InChI is InChI=1S/C29H32N6O/c1-17-25(21-11-5-8-18-7-3-4-10-20(18)21)31-15-24-26(17)33-29(36-16-19-9-6-12-35(19)2)34-28(24)32-27-22-13-30-14-23(22)27/h3-5,7-8,10-11,15,19,22-23,27,30H,6,9,12-14,16H2,1-2H3,(H,32,33,34)/t19-,22?,23?,27?/m0/s1.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 480.62 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 170313586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).