4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C17H24N6 — CID 56754929

IUPAC4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1cnn(CCC2CCN(c3ncnc4c3CCNC4)CC2)c1
InChIInChI=1S/C17H24N6/c1-6-21-23(8-1)11-5-14-3-9-22(10-4-14)17-15-2-7-18-12-16(15)19-13-20-17/h1,6,8,13-14,18H,2-5,7,9-12H2
InChIKeyYKVRNCCQPLMWOB-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.63
Rot. Bonds4

About 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 56754929) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID56754929
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1cnn(CCC2CCN(c3ncnc4c3CCNC4)CC2)c1
InChIInChI=1S/C17H24N6/c1-6-21-23(8-1)11-5-14-3-9-22(10-4-14)17-15-2-7-18-12-16(15)19-13-20-17/h1,6,8,13-14,18H,2-5,7,9-12H2
InChIKeyYKVRNCCQPLMWOB-UHFFFAOYSA-N
XLogP1.63
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 56754929) is 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is c1cnn(CCC2CCN(c3ncnc4c3CCNC4)CC2)c1.
What is the InChIKey of 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is YKVRNCCQPLMWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-6-21-23(8-1)11-5-14-3-9-22(10-4-14)17-15-2-7-18-12-16(15)19-13-20-17/h1,6,8,13-14,18H,2-5,7,9-12H2.
What are the key properties of 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 56754929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).