(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

C20H27N7O2 — CID 97190128

IUPAC(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CC2
InChIInChI=1S/C20H27N7O2/c1-13-10-22-27(11-13)14(2)18(28)26-9-6-16-15(12-26)17(24-20(21-3)23-16)19(29)25-7-4-5-8-25/h10-11,14H,4-9,12H2,1-3H3,(H,21,23,24)/t14-/m1/s1
InChIKeyOQLQLJDWRDLLJJ-CQSZACIVSA-N
MW397.48 g/mol
LogP1.41
Rot. Bonds4

About (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 97190128) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID97190128
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CC2
InChIInChI=1S/C20H27N7O2/c1-13-10-22-27(11-13)14(2)18(28)26-9-6-16-15(12-26)17(24-20(21-3)23-16)19(29)25-7-4-5-8-25/h10-11,14H,4-9,12H2,1-3H3,(H,21,23,24)/t14-/m1/s1
InChIKeyOQLQLJDWRDLLJJ-CQSZACIVSA-N
XLogP1.41
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one with MolForge

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Related Compounds

1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 56880084
[2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 72912369
1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile
CID 56914587
[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56889704
[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 72917927
[6-(5-amino-1,3,4-thiadiazol-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 146038129
4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 134695662
2-(4-hydroxypyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 155928497
2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 134713768
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728
1-[(3,5-dimethylphenyl)methyl]-4-[(2S)-2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 96576364
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (CID 97190128) is (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CC2.
What is the InChIKey of (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is OQLQLJDWRDLLJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-13-10-22-27(11-13)14(2)18(28)26-9-6-16-15(12-26)17(24-20(21-3)23-16)19(29)25-7-4-5-8-25/h10-11,14H,4-9,12H2,1-3H3,(H,21,23,24)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 397.48 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 97190128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).