3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione

C18H20ClN7O2 — CID 171100700

IUPAC3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ccc(N[C@H]3CC[C@H](Nc4cnc(Cl)cn4)C3)nc2)C1=O
InChIInChI=1S/C18H20ClN7O2/c1-25-10-17(27)26(18(25)28)13-4-5-15(21-7-13)23-11-2-3-12(6-11)24-16-9-20-14(19)8-22-16/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,21,23)(H,22,24)/t11-,12-/m0/s1
InChIKeyOQWYZZXTHAKZOL-RYUDHWBXSA-N
MW401.86 g/mol
LogP2.37
Rot. Bonds5

About 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione

3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione (PubChem CID 171100700) has the molecular formula C18H20ClN7O2 and a molecular weight of 401.86 g/mol. Its IUPAC name is 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione
PubChem CID171100700
Molecular FormulaC18H20ClN7O2
Molecular Weight401.86 g/mol
Exact Mass401.14
IUPAC Name3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(c2ccc(N[C@H]3CC[C@H](Nc4cnc(Cl)cn4)C3)nc2)C1=O
InChIInChI=1S/C18H20ClN7O2/c1-25-10-17(27)26(18(25)28)13-4-5-15(21-7-13)23-11-2-3-12(6-11)24-16-9-20-14(19)8-22-16/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,21,23)(H,22,24)/t11-,12-/m0/s1
InChIKeyOQWYZZXTHAKZOL-RYUDHWBXSA-N
XLogP2.37
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione (CID 171100700) is 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(c2ccc(N[C@H]3CC[C@H](Nc4cnc(Cl)cn4)C3)nc2)C1=O.
What is the InChIKey of 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is OQWYZZXTHAKZOL-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H20ClN7O2/c1-25-10-17(27)26(18(25)28)13-4-5-15(21-7-13)23-11-2-3-12(6-11)24-16-9-20-14(19)8-22-16/h4-5,7-9,11-12H,2-3,6,10H2,1H3,(H,21,23)(H,22,24)/t11-,12-/m0/s1.
What are the key properties of 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione?
3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 401.86 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 171100700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).