4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C18H24N8O — CID 175445252

IUPAC4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCC=CN1CCCC(Nc2nc3c(c(Nc4cnn(C)c4)n2)C(=O)NC3)C1
InChIInChI=1S/C18H24N8O/c1-3-6-26-7-4-5-12(11-26)22-18-23-14-9-19-17(27)15(14)16(24-18)21-13-8-20-25(2)10-13/h3,6,8,10,12H,4-5,7,9,11H2,1-2H3,(H,19,27)(H2,21,22,23,24)
InChIKeyWXXHZARFBLWIIC-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.61
Rot. Bonds5

About 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 175445252) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID175445252
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESCC=CN1CCCC(Nc2nc3c(c(Nc4cnn(C)c4)n2)C(=O)NC3)C1
InChIInChI=1S/C18H24N8O/c1-3-6-26-7-4-5-12(11-26)22-18-23-14-9-19-17(27)15(14)16(24-18)21-13-8-20-25(2)10-13/h3,6,8,10,12H,4-5,7,9,11H2,1-2H3,(H,19,27)(H2,21,22,23,24)
InChIKeyWXXHZARFBLWIIC-UHFFFAOYSA-N
XLogP1.61
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 175445252) is 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is CC=CN1CCCC(Nc2nc3c(c(Nc4cnn(C)c4)n2)C(=O)NC3)C1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is WXXHZARFBLWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-3-6-26-7-4-5-12(11-26)22-18-23-14-9-19-17(27)15(14)16(24-18)21-13-8-20-25(2)10-13/h3,6,8,10,12H,4-5,7,9,11H2,1-2H3,(H,19,27)(H2,21,22,23,24).
What are the key properties of 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 368.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)amino]-2-[(1-prop-1-enylpiperidin-3-yl)amino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 175445252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).