1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine

C20H21N7O — CID 154938985

IUPAC1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
SMILESCCn1ncc2ccc3cnc(Nc4ccc(N5CCOCC5)cn4)nc3c21
InChIInChI=1S/C20H21N7O/c1-2-27-19-15(12-23-27)4-3-14-11-22-20(25-18(14)19)24-17-6-5-16(13-21-17)26-7-9-28-10-8-26/h3-6,11-13H,2,7-10H2,1H3,(H,21,22,24,25)
InChIKeyUQQPOWOCTBANCZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.97
Rot. Bonds4

About 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine

1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine (PubChem CID 154938985) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound Name1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
PubChem CID154938985
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
SMILESCCn1ncc2ccc3cnc(Nc4ccc(N5CCOCC5)cn4)nc3c21
InChIInChI=1S/C20H21N7O/c1-2-27-19-15(12-23-27)4-3-14-11-22-20(25-18(14)19)24-17-6-5-16(13-21-17)26-7-9-28-10-8-26/h3-6,11-13H,2,7-10H2,1H3,(H,21,22,24,25)
InChIKeyUQQPOWOCTBANCZ-UHFFFAOYSA-N
XLogP2.97
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine (CID 154938985) is 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine is CCn1ncc2ccc3cnc(Nc4ccc(N5CCOCC5)cn4)nc3c21.
What is the InChIKey of 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine?
The InChIKey is UQQPOWOCTBANCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-2-27-19-15(12-23-27)4-3-14-11-22-20(25-18(14)19)24-17-6-5-16(13-21-17)26-7-9-28-10-8-26/h3-6,11-13H,2,7-10H2,1H3,(H,21,22,24,25).
What are the key properties of 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine?
1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine has a molecular weight of 375.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 154938985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).