3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine

C27H38N4O2 — CID 71157460

IUPAC3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine
SMILESCCc1cc2c(nc1-c1ccc(C(C)C)nc1NC[C@@H]1CCCO1)c(C)cn2[C@@H](C)COC
InChIInChI=1S/C27H38N4O2/c1-7-20-13-24-25(18(4)15-31(24)19(5)16-32-6)30-26(20)22-10-11-23(17(2)3)29-27(22)28-14-21-9-8-12-33-21/h10-11,13,15,17,19,21H,7-9,12,14,16H2,1-6H3,(H,28,29)/t19-,21-/m0/s1
InChIKeyMXYDAEQMCHIZJZ-FPOVZHCZSA-N
MW450.63 g/mol
LogP5.89
Rot. Bonds9

About 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine

3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine (PubChem CID 71157460) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine
PubChem CID71157460
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine
SMILESCCc1cc2c(nc1-c1ccc(C(C)C)nc1NC[C@@H]1CCCO1)c(C)cn2[C@@H](C)COC
InChIInChI=1S/C27H38N4O2/c1-7-20-13-24-25(18(4)15-31(24)19(5)16-32-6)30-26(20)22-10-11-23(17(2)3)29-27(22)28-14-21-9-8-12-33-21/h10-11,13,15,17,19,21H,7-9,12,14,16H2,1-6H3,(H,28,29)/t19-,21-/m0/s1
InChIKeyMXYDAEQMCHIZJZ-FPOVZHCZSA-N
XLogP5.89
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
CID 58702927
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine
CID 24788716
1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine
CID 24788932
1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563876
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
2-(dimethylamino)-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 97416216
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8852996
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059

Frequently Asked Questions

What is the IUPAC name of 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine (CID 71157460) is 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine is CCc1cc2c(nc1-c1ccc(C(C)C)nc1NC[C@@H]1CCCO1)c(C)cn2[C@@H](C)COC.
What is the InChIKey of 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine?
The InChIKey is MXYDAEQMCHIZJZ-FPOVZHCZSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-7-20-13-24-25(18(4)15-31(24)19(5)16-32-6)30-26(20)22-10-11-23(17(2)3)29-27(22)28-14-21-9-8-12-33-21/h10-11,13,15,17,19,21H,7-9,12,14,16H2,1-6H3,(H,28,29)/t19-,21-/m0/s1.
What are the key properties of 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine?
3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine has a molecular weight of 450.63 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-6-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 71157460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).