2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C15H16N6O — CID 136639019

IUPAC2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cnn([C@@H]3CCCNC3)c2)nc2cnccc12
InChIInChI=1S/C15H16N6O/c22-15-12-3-5-17-8-13(12)19-14(20-15)10-6-18-21(9-10)11-2-1-4-16-7-11/h3,5-6,8-9,11,16H,1-2,4,7H2,(H,19,20,22)/t11-/m1/s1
InChIKeyYLDNNDOVZCJCTN-LLVKDONJSA-N
MW296.33 g/mol
LogP1.11
Rot. Bonds2

About 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136639019) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136639019
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cnn([C@@H]3CCCNC3)c2)nc2cnccc12
InChIInChI=1S/C15H16N6O/c22-15-12-3-5-17-8-13(12)19-14(20-15)10-6-18-21(9-10)11-2-1-4-16-7-11/h3,5-6,8-9,11,16H,1-2,4,7H2,(H,19,20,22)/t11-/m1/s1
InChIKeyYLDNNDOVZCJCTN-LLVKDONJSA-N
XLogP1.11
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136639019) is 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2cnn([C@@H]3CCCNC3)c2)nc2cnccc12.
What is the InChIKey of 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YLDNNDOVZCJCTN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6O/c22-15-12-3-5-17-8-13(12)19-14(20-15)10-6-18-21(9-10)11-2-1-4-16-7-11/h3,5-6,8-9,11,16H,1-2,4,7H2,(H,19,20,22)/t11-/m1/s1.
What are the key properties of 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 296.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136639019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).