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

C19H25N7O2 — CID 72870385

IUPAC1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cn1nccc1C)CC2
InChIInChI=1S/C19H25N7O2/c1-13-5-7-21-26(13)12-16(27)25-10-6-15-14(11-25)17(23-19(20-2)22-15)18(28)24-8-3-4-9-24/h5,7H,3-4,6,8-12H2,1-2H3,(H,20,22,23)
InChIKeyMDIGCGJHIXZLLG-UHFFFAOYSA-N
MW383.46 g/mol
LogP0.84
Rot. Bonds4

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

1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone (PubChem CID 72870385) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone
PubChem CID72870385
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cn1nccc1C)CC2
InChIInChI=1S/C19H25N7O2/c1-13-5-7-21-26(13)12-16(27)25-10-6-15-14(11-25)17(23-19(20-2)22-15)18(28)24-8-3-4-9-24/h5,7H,3-4,6,8-12H2,1-2H3,(H,20,22,23)
InChIKeyMDIGCGJHIXZLLG-UHFFFAOYSA-N
XLogP0.84
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone (CID 72870385) is 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)Cn1nccc1C)CC2.
What is the InChIKey of 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The InChIKey is MDIGCGJHIXZLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-13-5-7-21-26(13)12-16(27)25-10-6-15-14(11-25)17(23-19(20-2)22-15)18(28)24-8-3-4-9-24/h5,7H,3-4,6,8-12H2,1-2H3,(H,20,22,23).
What are the key properties of 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone?
1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone has a molecular weight of 383.46 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 72870385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).