2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C22H27N5O — CID 110215002

IUPAC2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCC(Nc1c2c(nc3cc(C4CCOCC4)nn13)CCCC2)c1ccccn1
InChIInChI=1S/C22H27N5O/c1-15(18-7-4-5-11-23-18)24-22-17-6-2-3-8-19(17)25-21-14-20(26-27(21)22)16-9-12-28-13-10-16/h4-5,7,11,14-16,24H,2-3,6,8-10,12-13H2,1H3
InChIKeyFDCXYOPMSZJKBT-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.07
Rot. Bonds4

About 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 110215002) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID110215002
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCC(Nc1c2c(nc3cc(C4CCOCC4)nn13)CCCC2)c1ccccn1
InChIInChI=1S/C22H27N5O/c1-15(18-7-4-5-11-23-18)24-22-17-6-2-3-8-19(17)25-21-14-20(26-27(21)22)16-9-12-28-13-10-16/h4-5,7,11,14-16,24H,2-3,6,8-10,12-13H2,1H3
InChIKeyFDCXYOPMSZJKBT-UHFFFAOYSA-N
XLogP4.07
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine with MolForge

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Related Compounds

N',N'-dimethyl-N-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]ethane-1,2-diamine
CID 95798984
1-[4-[2-(oxan-4-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]ethanone
CID 95798980
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 95799451
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
11-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 1441157
N-[(1S)-1-pyridin-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81401524
2-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 20706847
4-(2-piperidin-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 121406375
8-chloro-5-[4-(trifluoromethyl)cyclohexyl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 146588997

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 110215002) is 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is CC(Nc1c2c(nc3cc(C4CCOCC4)nn13)CCCC2)c1ccccn1.
What is the InChIKey of 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is FDCXYOPMSZJKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(18-7-4-5-11-23-18)24-22-17-6-2-3-8-19(17)25-21-14-20(26-27(21)22)16-9-12-28-13-10-16/h4-5,7,11,14-16,24H,2-3,6,8-10,12-13H2,1H3.
What are the key properties of 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 377.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 110215002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).