1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone

C27H34N6O — CID 146993840

IUPAC1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
SMILESCC(C)N1CCC(Nc2cncc(-c3ccc4cnc(CC(=O)C5CCCC5)nc4c3)n2)CC1
InChIInChI=1S/C27H34N6O/c1-18(2)33-11-9-22(10-12-33)30-27-17-28-16-24(32-27)20-7-8-21-15-29-26(31-23(21)13-20)14-25(34)19-5-3-4-6-19/h7-8,13,15-19,22H,3-6,9-12,14H2,1-2H3,(H,30,32)
InChIKeyAQSCQGVOUZGQBU-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.67
Rot. Bonds7

About 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone

1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone (PubChem CID 146993840) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
PubChem CID146993840
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
SMILESCC(C)N1CCC(Nc2cncc(-c3ccc4cnc(CC(=O)C5CCCC5)nc4c3)n2)CC1
InChIInChI=1S/C27H34N6O/c1-18(2)33-11-9-22(10-12-33)30-27-17-28-16-24(32-27)20-7-8-21-15-29-26(31-23(21)13-20)14-25(34)19-5-3-4-6-19/h7-8,13,15-19,22H,3-6,9-12,14H2,1-2H3,(H,30,32)
InChIKeyAQSCQGVOUZGQBU-UHFFFAOYSA-N
XLogP4.67
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
The IUPAC name of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone (CID 146993840) is 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone is CC(C)N1CCC(Nc2cncc(-c3ccc4cnc(CC(=O)C5CCCC5)nc4c3)n2)CC1.
What is the InChIKey of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
The InChIKey is AQSCQGVOUZGQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-18(2)33-11-9-22(10-12-33)30-27-17-28-16-24(32-27)20-7-8-21-15-29-26(31-23(21)13-20)14-25(34)19-5-3-4-6-19/h7-8,13,15-19,22H,3-6,9-12,14H2,1-2H3,(H,30,32).
What are the key properties of 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone?
1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone has a molecular weight of 458.61 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone is sourced from PubChem (CID 146993840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).