3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine

C21H28ClN5O — CID 78318926

IUPAC3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cc1Cl
InChIInChI=1S/C21H28ClN5O/c22-18-9-15(11-24-21(18)23)19-10-20(27(25-19)16-3-1-2-4-16)14-5-7-26(8-6-14)17-12-28-13-17/h9-11,14,16-17H,1-8,12-13H2,(H2,23,24)
InChIKeyLEOWEIJSDSRDCI-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.87
Rot. Bonds4

About 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine

3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 78318926) has the molecular formula C21H28ClN5O and a molecular weight of 401.94 g/mol. Its IUPAC name is 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID78318926
Molecular FormulaC21H28ClN5O
Molecular Weight401.94 g/mol
Exact Mass401.20
IUPAC Name3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cc1Cl
InChIInChI=1S/C21H28ClN5O/c22-18-9-15(11-24-21(18)23)19-10-20(27(25-19)16-3-1-2-4-16)14-5-7-26(8-6-14)17-12-28-13-17/h9-11,14,16-17H,1-8,12-13H2,(H2,23,24)
InChIKeyLEOWEIJSDSRDCI-UHFFFAOYSA-N
XLogP3.87
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine (CID 78318926) is 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine is Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)cc1Cl.
What is the InChIKey of 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is LEOWEIJSDSRDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O/c22-18-9-15(11-24-21(18)23)19-10-20(27(25-19)16-3-1-2-4-16)14-5-7-26(8-6-14)17-12-28-13-17/h9-11,14,16-17H,1-8,12-13H2,(H2,23,24).
What are the key properties of 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine?
3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 401.94 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 78318926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).