N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide

C18H24N6O2 — CID 92578320

IUPACN-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C18H24N6O2/c25-17(4-9-24-8-2-6-20-24)21-15-3-1-7-23(12-15)18-19-11-14-13-26-10-5-16(14)22-18/h2,6,8,11,15H,1,3-5,7,9-10,12-13H2,(H,21,25)/t15-/m0/s1
InChIKeyHZDOWCXZLJSPOO-HNNXBMFYSA-N
MW356.43 g/mol
LogP0.92
Rot. Bonds5

About N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide

N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 92578320) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
PubChem CID92578320
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C18H24N6O2/c25-17(4-9-24-8-2-6-20-24)21-15-3-1-7-23(12-15)18-19-11-14-13-26-10-5-16(14)22-18/h2,6,8,11,15H,1,3-5,7,9-10,12-13H2,(H,21,25)/t15-/m0/s1
InChIKeyHZDOWCXZLJSPOO-HNNXBMFYSA-N
XLogP0.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide (CID 92578320) is N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1.
What is the InChIKey of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is HZDOWCXZLJSPOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-17(4-9-24-8-2-6-20-24)21-15-3-1-7-23(12-15)18-19-11-14-13-26-10-5-16(14)22-18/h2,6,8,11,15H,1,3-5,7,9-10,12-13H2,(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 356.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 92578320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).