4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid

C26H37N5O4 — CID 155940183

IUPAC4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
SMILESCc1cc(N2CCC(C3CCN(CC4CC4)CC3)CC2)nc(-c2cccnc2)n1.O=CO.O=CO
InChIInChI=1S/C24H33N5.2CH2O2/c1-18-15-23(27-24(26-18)22-3-2-10-25-16-22)29-13-8-21(9-14-29)20-6-11-28(12-7-20)17-19-4-5-19;2*2-1-3/h2-3,10,15-16,19-21H,4-9,11-14,17H2,1H3;2*1H,(H,2,3)
InChIKeyWEZHJRCBPSMJBB-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.59
Rot. Bonds5

About 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid

4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid (PubChem CID 155940183) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid.

Molecular Properties

Compound Name4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
PubChem CID155940183
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
SMILESCc1cc(N2CCC(C3CCN(CC4CC4)CC3)CC2)nc(-c2cccnc2)n1.O=CO.O=CO
InChIInChI=1S/C24H33N5.2CH2O2/c1-18-15-23(27-24(26-18)22-3-2-10-25-16-22)29-13-8-21(9-14-29)20-6-11-28(12-7-20)17-19-4-5-19;2*2-1-3/h2-3,10,15-16,19-21H,4-9,11-14,17H2,1H3;2*1H,(H,2,3)
InChIKeyWEZHJRCBPSMJBB-UHFFFAOYSA-N
XLogP3.59
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid?
The IUPAC name of 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid (CID 155940183) is 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid.
What is the SMILES notation for 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid?
The canonical SMILES for 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid is Cc1cc(N2CCC(C3CCN(CC4CC4)CC3)CC2)nc(-c2cccnc2)n1.O=CO.O=CO.
What is the InChIKey of 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid?
The InChIKey is WEZHJRCBPSMJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5.2CH2O2/c1-18-15-23(27-24(26-18)22-3-2-10-25-16-22)29-13-8-21(9-14-29)20-6-11-28(12-7-20)17-19-4-5-19;2*2-1-3/h2-3,10,15-16,19-21H,4-9,11-14,17H2,1H3;2*1H,(H,2,3).
What are the key properties of 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid?
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid has a molecular weight of 483.61 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid is sourced from PubChem (CID 155940183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).