1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C17H22N6O2 — CID 56883670

IUPAC1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)nc2c1CCC2
InChIInChI=1S/C17H22N6O2/c1-18-14-12-4-2-5-13(12)20-16(21-14)22-10-6-17(7-11-22,15(24)25)23-9-3-8-19-23/h3,8-9H,2,4-7,10-11H2,1H3,(H,24,25)(H,18,20,21)
InChIKeyVZTQLIQKDLQNDI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.28
Rot. Bonds4

About 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56883670) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56883670
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCNc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)nc2c1CCC2
InChIInChI=1S/C17H22N6O2/c1-18-14-12-4-2-5-13(12)20-16(21-14)22-10-6-17(7-11-22,15(24)25)23-9-3-8-19-23/h3,8-9H,2,4-7,10-11H2,1H3,(H,24,25)(H,18,20,21)
InChIKeyVZTQLIQKDLQNDI-UHFFFAOYSA-N
XLogP1.28
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56883670) is 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CNc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)nc2c1CCC2.
What is the InChIKey of 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is VZTQLIQKDLQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-18-14-12-4-2-5-13(12)20-16(21-14)22-10-6-17(7-11-22,15(24)25)23-9-3-8-19-23/h3,8-9H,2,4-7,10-11H2,1H3,(H,24,25)(H,18,20,21).
What are the key properties of 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56883670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).