N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine

C25H31N5O2 — CID 95835780

IUPACN-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCOCc1cc(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)ccc1OC(C)C
InChIInChI=1S/C25H31N5O2/c1-18(2)32-23-10-9-19(14-20(23)17-31-3)16-30-13-5-7-22(30)21-6-4-8-24(28-21)29-25-15-26-11-12-27-25/h4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-3H3,(H,27,28,29)/t22-/m1/s1
InChIKeyQYHNBEBGWOMBHD-JOCHJYFZSA-N
MW433.56 g/mol
LogP4.89
Rot. Bonds9

About N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine

N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 95835780) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
PubChem CID95835780
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
SMILESCOCc1cc(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)ccc1OC(C)C
InChIInChI=1S/C25H31N5O2/c1-18(2)32-23-10-9-19(14-20(23)17-31-3)16-30-13-5-7-22(30)21-6-4-8-24(28-21)29-25-15-26-11-12-27-25/h4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-3H3,(H,27,28,29)/t22-/m1/s1
InChIKeyQYHNBEBGWOMBHD-JOCHJYFZSA-N
XLogP4.89
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[6-[(3R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95836059
2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-5-(1-methylpyrazol-4-yl)pyridine
CID 110263811
N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 95835693
N-[6-[4-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]morpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093053
N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95835450
4-[[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenol
CID 95837810
2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
N-[4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 125004240
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95832802
2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265205

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine (CID 95835780) is N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine is COCc1cc(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)ccc1OC(C)C.
What is the InChIKey of N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is QYHNBEBGWOMBHD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-18(2)32-23-10-9-19(14-20(23)17-31-3)16-30-13-5-7-22(30)21-6-4-8-24(28-21)29-25-15-26-11-12-27-25/h4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-3H3,(H,27,28,29)/t22-/m1/s1.
What are the key properties of N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?
N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 433.56 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 95835780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).