1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea

C30H32N8O — CID 142727681

IUPAC1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea
SMILESCc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)ccc1-c1cnc(NC2CC2)c2nccn12
InChIInChI=1S/C30H32N8O/c1-19-16-21(12-13-23(19)24-18-32-27(33-20-10-11-20)28-31-14-15-37(24)28)34-29(39)35-26-17-25(30(2,3)4)36-38(26)22-8-6-5-7-9-22/h5-9,12-18,20H,10-11H2,1-4H3,(H,32,33)(H2,34,35,39)
InChIKeyLEVZCGPPIDIGHW-UHFFFAOYSA-N
MW520.64 g/mol
LogP6.41
Rot. Bonds6

About 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea

1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea (PubChem CID 142727681) has the molecular formula C30H32N8O and a molecular weight of 520.64 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea
PubChem CID142727681
Molecular FormulaC30H32N8O
Molecular Weight520.64 g/mol
Exact Mass520.27
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea
SMILESCc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)ccc1-c1cnc(NC2CC2)c2nccn12
InChIInChI=1S/C30H32N8O/c1-19-16-21(12-13-23(19)24-18-32-27(33-20-10-11-20)28-31-14-15-37(24)28)34-29(39)35-26-17-25(30(2,3)4)36-38(26)22-8-6-5-7-9-22/h5-9,12-18,20H,10-11H2,1-4H3,(H,32,33)(H2,34,35,39)
InChIKeyLEVZCGPPIDIGHW-UHFFFAOYSA-N
XLogP6.41
TPSA101.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea (CID 142727681) is 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea is Cc1cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)ccc1-c1cnc(NC2CC2)c2nccn12.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea?
The InChIKey is LEVZCGPPIDIGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O/c1-19-16-21(12-13-23(19)24-18-32-27(33-20-10-11-20)28-31-14-15-37(24)28)34-29(39)35-26-17-25(30(2,3)4)36-38(26)22-8-6-5-7-9-22/h5-9,12-18,20H,10-11H2,1-4H3,(H,32,33)(H2,34,35,39).
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea?
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea has a molecular weight of 520.64 g/mol, XLogP of 6.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-5-yl]-3-methylphenyl]urea is sourced from PubChem (CID 142727681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).