(1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol

C19H27N5O3S — CID 133384367

IUPAC(1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C19H27N5O3S/c1-22-12-8-20-19(22)18(25)15-5-4-9-23(14-15)17-7-6-16(13-21-17)28(26,27)24-10-2-3-11-24/h6-8,12-13,15,18,25H,2-5,9-11,14H2,1H3
InChIKeyJKPBPNJIUDWRMH-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.55
Rot. Bonds5

About (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol

(1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol (PubChem CID 133384367) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol
PubChem CID133384367
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name(1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C19H27N5O3S/c1-22-12-8-20-19(22)18(25)15-5-4-9-23(14-15)17-7-6-16(13-21-17)28(26,27)24-10-2-3-11-24/h6-8,12-13,15,18,25H,2-5,9-11,14H2,1H3
InChIKeyJKPBPNJIUDWRMH-UHFFFAOYSA-N
XLogP1.55
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol (CID 133384367) is (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol is Cn1ccnc1C(O)C1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol?
The InChIKey is JKPBPNJIUDWRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-22-12-8-20-19(22)18(25)15-5-4-9-23(14-15)17-7-6-16(13-21-17)28(26,27)24-10-2-3-11-24/h6-8,12-13,15,18,25H,2-5,9-11,14H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol?
(1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol has a molecular weight of 405.52 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]methanol is sourced from PubChem (CID 133384367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).