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

C20H27N5O2 — CID 146101131

IUPAC[4-(pyridin-3-ylmethyl)piperazin-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)N3CCN(Cc4cccnc4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C20H27N5O2/c1-14-11-17-18(22-23(3)19(17)15(2)27-14)20(26)25-9-7-24(8-10-25)13-16-5-4-6-21-12-16/h4-6,12,14-15H,7-11,13H2,1-3H3/t14-,15+/m1/s1
InChIKeyHEOSUZFMYLQFLH-CABCVRRESA-N
MW369.47 g/mol
LogP1.80
Rot. Bonds3

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

[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146101131) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethyl)piperazin-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-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146101131
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[4-(pyridin-3-ylmethyl)piperazin-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)N3CCN(Cc4cccnc4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C20H27N5O2/c1-14-11-17-18(22-23(3)19(17)15(2)27-14)20(26)25-9-7-24(8-10-25)13-16-5-4-6-21-12-16/h4-6,12,14-15H,7-11,13H2,1-3H3/t14-,15+/m1/s1
InChIKeyHEOSUZFMYLQFLH-CABCVRRESA-N
XLogP1.80
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101185
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111023
(5R,7S)-N-(2-cyanoethyl)-1,5,7-trimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101193
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 146105033
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146110924
(4-chloro-1-methylpyrrol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56810688
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 119063045
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 146115378
[4-(methylsulfanylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 86915311

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethyl)piperazin-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-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146101131) is [4-(pyridin-3-ylmethyl)piperazin-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-(pyridin-3-ylmethyl)piperazin-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-(pyridin-3-ylmethyl)piperazin-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)N3CCN(Cc4cccnc4)CC3)nn(C)c2[C@H](C)O1.
What is the InChIKey of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is HEOSUZFMYLQFLH-CABCVRRESA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-11-17-18(22-23(3)19(17)15(2)27-14)20(26)25-9-7-24(8-10-25)13-16-5-4-6-21-12-16/h4-6,12,14-15H,7-11,13H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
[4-(pyridin-3-ylmethyl)piperazin-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 369.47 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethyl)piperazin-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 146101131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).