1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine

C29H31N7O — CID 118224970

IUPAC1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine
SMILESCOc1ccccc1-c1cc2c(C3=N[C@@H](N4CCCC(N)C4)c4c(cncc4C4CC4)N3)ccnc2[nH]1
InChIInChI=1S/C29H31N7O/c1-37-25-7-3-2-6-20(25)23-13-21-19(10-11-32-27(21)33-23)28-34-24-15-31-14-22(17-8-9-17)26(24)29(35-28)36-12-4-5-18(30)16-36/h2-3,6-7,10-11,13-15,17-18,29H,4-5,8-9,12,16,30H2,1H3,(H,32,33)(H,34,35)/t18?,29-/m0/s1
InChIKeyAKHNLBKJGAXVHT-MPRLKSRNSA-N
MW493.62 g/mol
LogP4.80
Rot. Bonds5

About 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine

1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine (PubChem CID 118224970) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine
PubChem CID118224970
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine
SMILESCOc1ccccc1-c1cc2c(C3=N[C@@H](N4CCCC(N)C4)c4c(cncc4C4CC4)N3)ccnc2[nH]1
InChIInChI=1S/C29H31N7O/c1-37-25-7-3-2-6-20(25)23-13-21-19(10-11-32-27(21)33-23)28-34-24-15-31-14-22(17-8-9-17)26(24)29(35-28)36-12-4-5-18(30)16-36/h2-3,6-7,10-11,13-15,17-18,29H,4-5,8-9,12,16,30H2,1H3,(H,32,33)(H,34,35)/t18?,29-/m0/s1
InChIKeyAKHNLBKJGAXVHT-MPRLKSRNSA-N
XLogP4.80
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine with MolForge

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Related Compounds

(3S)-1-[5-cyclopropyl-2-[2-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine
CID 118225045
(3S)-1-[2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-cyclopropylpyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine
CID 118234600
1-[5-cyclobutyl-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine
CID 118224929
4-(5-fluoro-2-methoxyphenyl)-2-(1-methylpyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90412305
2-[4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetic acid
CID 118897477
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
CID 106541180
2-(1-tert-butylpiperidin-4-yl)-4-(4-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90419613
1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191849
4-[4-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 139208110
4-(5-cyclobutyl-4-methoxypyrido[3,4-d]pyrimidin-2-yl)-9H-pyrido[2,3-b]indole
CID 118388227
(3R)-1-[(1S,2S)-6-chloro-4-methoxy-1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 152500590
4-(5-fluoro-2-methoxyphenyl)-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90411752

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine?
The IUPAC name of 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine (CID 118224970) is 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine.
What is the SMILES notation for 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine?
The canonical SMILES for 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine is COc1ccccc1-c1cc2c(C3=N[C@@H](N4CCCC(N)C4)c4c(cncc4C4CC4)N3)ccnc2[nH]1.
What is the InChIKey of 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine?
The InChIKey is AKHNLBKJGAXVHT-MPRLKSRNSA-N. The full InChI is InChI=1S/C29H31N7O/c1-37-25-7-3-2-6-20(25)23-13-21-19(10-11-32-27(21)33-23)28-34-24-15-31-14-22(17-8-9-17)26(24)29(35-28)36-12-4-5-18(30)16-36/h2-3,6-7,10-11,13-15,17-18,29H,4-5,8-9,12,16,30H2,1H3,(H,32,33)(H,34,35)/t18?,29-/m0/s1.
What are the key properties of 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine?
1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine has a molecular weight of 493.62 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-5-cyclopropyl-2-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4-dihydropyrido[3,4-d]pyrimidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 118224970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).