[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C19H27N5O2 — CID 146111105

IUPAC[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCC(Cc4cnc[nH]4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H27N5O2/c1-12-8-16-17(22-23(3)18(16)13(2)26-12)19(25)24-6-4-14(5-7-24)9-15-10-20-11-21-15/h10-14H,4-9H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
InChIKeyZMWHKPQDIBICRW-OLZOCXBDSA-N
MW357.46 g/mol
LogP2.26
Rot. Bonds3

About [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146111105) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146111105
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCC(Cc4cnc[nH]4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C19H27N5O2/c1-12-8-16-17(22-23(3)18(16)13(2)26-12)19(25)24-6-4-14(5-7-24)9-15-10-20-11-21-15/h10-14H,4-9H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
InChIKeyZMWHKPQDIBICRW-OLZOCXBDSA-N
XLogP2.26
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone 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 [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146111105) is [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(C(=O)N3CCC(Cc4cnc[nH]4)CC3)nn(C)c2[C@H](C)O1.
What is the InChIKey of [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is ZMWHKPQDIBICRW-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-8-16-17(22-23(3)18(16)13(2)26-12)19(25)24-6-4-14(5-7-24)9-15-10-20-11-21-15/h10-14H,4-9H2,1-3H3,(H,20,21)/t12-,13+/m1/s1.
What are the key properties of [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146111105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).