1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol

C19H20ClN5O — CID 135148151

IUPAC1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol
SMILESCc1c(Cl)cccc1Nc1ncnc2cc(CN3CCC(O)C3)cnc12
InChIInChI=1S/C19H20ClN5O/c1-12-15(20)3-2-4-16(12)24-19-18-17(22-11-23-19)7-13(8-21-18)9-25-6-5-14(26)10-25/h2-4,7-8,11,14,26H,5-6,9-10H2,1H3,(H,22,23,24)
InChIKeyJMIJYUXAKJSECY-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.30
Rot. Bonds4

About 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol

1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol (PubChem CID 135148151) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol
PubChem CID135148151
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol
SMILESCc1c(Cl)cccc1Nc1ncnc2cc(CN3CCC(O)C3)cnc12
InChIInChI=1S/C19H20ClN5O/c1-12-15(20)3-2-4-16(12)24-19-18-17(22-11-23-19)7-13(8-21-18)9-25-6-5-14(26)10-25/h2-4,7-8,11,14,26H,5-6,9-10H2,1H3,(H,22,23,24)
InChIKeyJMIJYUXAKJSECY-UHFFFAOYSA-N
XLogP3.30
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[[8-[3-[3-[[7-[(2-hydroxypropylamino)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135145762
2-[3-[3-[[7-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-(piperidin-1-ylmethyl)-1,3-benzoxazole-7-carbonitrile
CID 135148859
1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135145756
1-[[7-cyano-2-[3-[3-[[7-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 135147828
(3R)-1-[[8-(2-methylanilino)-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 169284112
(3R)-1-[[8-[3-[3-[(7-ethenylpyrido[3,2-d]pyrimidin-4-yl)methyl]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 159898898
8-chloro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 135146575
(3R)-1-[[7-cyano-2-[3-[3-[[7-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 135147831
2-[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole-7-carbonitrile
CID 175787398
3-[[7-chloro-2-[3-[3-[[3-[(3-hydroxypyrrolidin-1-yl)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl-methylamino]propanoic acid
CID 135147993
tert-butyl 2-[chloro-[3-[3-[[7-[(3-hydroxypyrrolidin-1-yl)methyl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 135146021
1-[[2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 175878045

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol (CID 135148151) is 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol is Cc1c(Cl)cccc1Nc1ncnc2cc(CN3CCC(O)C3)cnc12.
What is the InChIKey of 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol?
The InChIKey is JMIJYUXAKJSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12-15(20)3-2-4-16(12)24-19-18-17(22-11-23-19)7-13(8-21-18)9-25-6-5-14(26)10-25/h2-4,7-8,11,14,26H,5-6,9-10H2,1H3,(H,22,23,24).
What are the key properties of 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol?
1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol has a molecular weight of 369.86 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chloro-2-methylanilino)pyrido[3,2-d]pyrimidin-7-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135148151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).