[6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C16H23N5O3S — CID 72909924

IUPAC[6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C16H23N5O3S/c1-17-16-18-13-6-9-21(25(23,24)11-4-5-11)10-12(13)14(19-16)15(22)20-7-2-3-8-20/h11H,2-10H2,1H3,(H,17,18,19)
InChIKeyXWQGKYJTJWGCDQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.60
Rot. Bonds4

About [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72909924) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID72909924
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name[6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C16H23N5O3S/c1-17-16-18-13-6-9-21(25(23,24)11-4-5-11)10-12(13)14(19-16)15(22)20-7-2-3-8-20/h11H,2-10H2,1H3,(H,17,18,19)
InChIKeyXWQGKYJTJWGCDQ-UHFFFAOYSA-N
XLogP0.60
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 72909924) is [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XWQGKYJTJWGCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-17-16-18-13-6-9-21(25(23,24)11-4-5-11)10-12(13)14(19-16)15(22)20-7-2-3-8-20/h11H,2-10H2,1H3,(H,17,18,19).
What are the key properties of [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 365.46 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropylsulfonyl-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72909924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).