1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide

C23H33N7O — CID 118731841

IUPAC1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1
InChIInChI=1S/C23H33N7O/c1-3-29(4-2)22(31)16-7-6-12-30(14-16)23-24-18-9-5-8-17(18)21(26-23)25-20-13-19(27-28-20)15-10-11-15/h13,15-16H,3-12,14H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyXHFYVJBFWUNXPK-UHFFFAOYSA-N
MW423.57 g/mol
LogP3.39
Rot. Bonds7

About 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide

1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 118731841) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID118731841
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC Name1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1
InChIInChI=1S/C23H33N7O/c1-3-29(4-2)22(31)16-7-6-12-30(14-16)23-24-18-9-5-8-17(18)21(26-23)25-20-13-19(27-28-20)15-10-11-15/h13,15-16H,3-12,14H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyXHFYVJBFWUNXPK-UHFFFAOYSA-N
XLogP3.39
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide (CID 118731841) is 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1.
What is the InChIKey of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is XHFYVJBFWUNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O/c1-3-29(4-2)22(31)16-7-6-12-30(14-16)23-24-18-9-5-8-17(18)21(26-23)25-20-13-19(27-28-20)15-10-11-15/h13,15-16H,3-12,14H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 423.57 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 118731841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).