1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]

C23H32N6 — CID 95803367

IUPAC1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]
SMILESCCCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c1C
InChIInChI=1S/C23H32N6/c1-3-12-29-18(2)19(16-25-29)17-27-14-9-23(10-15-27)26-21-8-5-4-7-20(21)22-24-11-6-13-28(22)23/h4-5,7-8,16,26H,3,6,9-15,17H2,1-2H3
InChIKeyWTNVCAGUQSYHBE-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.47
Rot. Bonds4

About 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]

1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine] (PubChem CID 95803367) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine].

Molecular Properties

Compound Name1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]
PubChem CID95803367
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]
SMILESCCCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c1C
InChIInChI=1S/C23H32N6/c1-3-12-29-18(2)19(16-25-29)17-27-14-9-23(10-15-27)26-21-8-5-4-7-20(21)22-24-11-6-13-28(22)23/h4-5,7-8,16,26H,3,6,9-15,17H2,1-2H3
InChIKeyWTNVCAGUQSYHBE-UHFFFAOYSA-N
XLogP3.47
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]?
The IUPAC name of 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine] (CID 95803367) is 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine].
What is the SMILES notation for 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]?
The canonical SMILES for 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine] is CCCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c1C.
What is the InChIKey of 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]?
The InChIKey is WTNVCAGUQSYHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6/c1-3-12-29-18(2)19(16-25-29)17-27-14-9-23(10-15-27)26-21-8-5-4-7-20(21)22-24-11-6-13-28(22)23/h4-5,7-8,16,26H,3,6,9-15,17H2,1-2H3.
What are the key properties of 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine]?
1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine] has a molecular weight of 392.55 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methyl-1-propylpyrazol-4-yl)methyl]spiro[2,3,4,7-tetrahydropyrimido[1,2-c]quinazoline-6,4'-piperidine] is sourced from PubChem (CID 95803367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).