2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol

C26H22N4O — CID 57378636

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol
SMILESNC1(c2ccc(-c3nc4c5cccc(O)c5nn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H22N4O/c27-26(14-5-15-26)19-12-10-18(11-13-19)23-21(17-6-2-1-3-7-17)16-30-25(28-23)20-8-4-9-22(31)24(20)29-30/h1-4,6-13,16,31H,5,14-15,27H2
InChIKeySXIOPKJMHPTNBI-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.26
Rot. Bonds3

About 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol

2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol (PubChem CID 57378636) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol
PubChem CID57378636
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol
SMILESNC1(c2ccc(-c3nc4c5cccc(O)c5nn4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H22N4O/c27-26(14-5-15-26)19-12-10-18(11-13-19)23-21(17-6-2-1-3-7-17)16-30-25(28-23)20-8-4-9-22(31)24(20)29-30/h1-4,6-13,16,31H,5,14-15,27H2
InChIKeySXIOPKJMHPTNBI-UHFFFAOYSA-N
XLogP5.26
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol (CID 57378636) is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol is NC1(c2ccc(-c3nc4c5cccc(O)c5nn4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol?
The InChIKey is SXIOPKJMHPTNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c27-26(14-5-15-26)19-12-10-18(11-13-19)23-21(17-6-2-1-3-7-17)16-30-25(28-23)20-8-4-9-22(31)24(20)29-30/h1-4,6-13,16,31H,5,14-15,27H2.
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol?
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol has a molecular weight of 406.49 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-7-ol is sourced from PubChem (CID 57378636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).