2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H27N7O — CID 169151077

IUPAC2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCC(c4ccc(C(C)(C)N)cn4)C3)nc21
InChIInChI=1S/C23H27N7O/c1-23(2,25)15-9-10-17(26-12-15)13-7-8-14(11-13)20-28-21-16-5-4-6-18(31-3)19(16)27-22(24)30(21)29-20/h4-6,9-10,12-14H,7-8,11,25H2,1-3H3,(H2,24,27)
InChIKeyCFOMISHMTSXQNH-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.51
Rot. Bonds4

About 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169151077) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169151077
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CCC(c4ccc(C(C)(C)N)cn4)C3)nc21
InChIInChI=1S/C23H27N7O/c1-23(2,25)15-9-10-17(26-12-15)13-7-8-14(11-13)20-28-21-16-5-4-6-18(31-3)19(16)27-22(24)30(21)29-20/h4-6,9-10,12-14H,7-8,11,25H2,1-3H3,(H2,24,27)
InChIKeyCFOMISHMTSXQNH-UHFFFAOYSA-N
XLogP3.51
TPSA117.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169151077) is 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CCC(c4ccc(C(C)(C)N)cn4)C3)nc21.
What is the InChIKey of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is CFOMISHMTSXQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-23(2,25)15-9-10-17(26-12-15)13-7-8-14(11-13)20-28-21-16-5-4-6-18(31-3)19(16)27-22(24)30(21)29-20/h4-6,9-10,12-14H,7-8,11,25H2,1-3H3,(H2,24,27).
What are the key properties of 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 417.52 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-aminopropan-2-yl)-2-pyridinyl]cyclopentyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169151077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).