[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C18H25N5O2 — CID 146093333

IUPAC[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N2CCC(c3cnc[nH]3)CC2)[C@H](C)O1
InChIInChI=1S/C18H25N5O2/c1-11-8-14-16(12(2)25-11)21-22(3)17(14)18(24)23-6-4-13(5-7-23)15-9-19-10-20-15/h9-13H,4-8H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
InChIKeyULRSSQQRGQUZMW-NEPJUHHUSA-N
MW343.43 g/mol
LogP2.19
Rot. Bonds2

About [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146093333) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146093333
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N2CCC(c3cnc[nH]3)CC2)[C@H](C)O1
InChIInChI=1S/C18H25N5O2/c1-11-8-14-16(12(2)25-11)21-22(3)17(14)18(24)23-6-4-13(5-7-23)15-9-19-10-20-15/h9-13H,4-8H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
InChIKeyULRSSQQRGQUZMW-NEPJUHHUSA-N
XLogP2.19
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146093333) is [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(nn(C)c2C(=O)N2CCC(c3cnc[nH]3)CC2)[C@H](C)O1.
What is the InChIKey of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is ULRSSQQRGQUZMW-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-8-14-16(12(2)25-11)21-22(3)17(14)18(24)23-6-4-13(5-7-23)15-9-19-10-20-15/h9-13H,4-8H2,1-3H3,(H,19,20)/t11-,12+/m1/s1.
What are the key properties of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146093333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).