2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate

C27H30N6O3 — CID 46891275

IUPAC2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCOCC5)c4)cnn3c2N)cc1
InChIInChI=1S/C27H30N6O3/c1-18(2)17-36-27(34)31-21-8-6-19(7-9-21)23-15-29-26-24(16-30-33(26)25(23)28)20-4-3-5-22(14-20)32-10-12-35-13-11-32/h3-9,14-16,18H,10-13,17,28H2,1-2H3,(H,31,34)
InChIKeyPRFCJLMTRMJJIY-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.69
Rot. Bonds6

About 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate

2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate (PubChem CID 46891275) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate
PubChem CID46891275
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCOCC5)c4)cnn3c2N)cc1
InChIInChI=1S/C27H30N6O3/c1-18(2)17-36-27(34)31-21-8-6-19(7-9-21)23-15-29-26-24(16-30-33(26)25(23)28)20-4-3-5-22(14-20)32-10-12-35-13-11-32/h3-9,14-16,18H,10-13,17,28H2,1-2H3,(H,31,34)
InChIKeyPRFCJLMTRMJJIY-UHFFFAOYSA-N
XLogP4.69
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate with MolForge

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Related Compounds

N3-(4-(4-morpholinocyclohexyl)phenyl)-1-(pyridin-2-yl)-1H-1,2,4-triazole-3,5-diamine
CID 11604142
Apy0201
CID 56927660
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 18
CID 25261231
Pyrazolo pyrimidine, 13
CID 44233160
Pyrazolo pyrimidine, 20
CID 44233388
Pyrazolo pyrimidine, 21
CID 44233389
Pyrazolo pyrimidine, 22
CID 44233390
Methyl 4-[6-[4-(cyclopropylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44233391
Pyrazolo pyrimidine, 24
CID 44233639
Pyrazolo pyrimidine, 25
CID 44233640
Pyrazolo pyrimidine, 27
CID 44233641

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate (CID 46891275) is 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate is CC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCOCC5)c4)cnn3c2N)cc1.
What is the InChIKey of 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
The InChIKey is PRFCJLMTRMJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-18(2)17-36-27(34)31-21-8-6-19(7-9-21)23-15-29-26-24(16-30-33(26)25(23)28)20-4-3-5-22(14-20)32-10-12-35-13-11-32/h3-9,14-16,18H,10-13,17,28H2,1-2H3,(H,31,34).
What are the key properties of 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate has a molecular weight of 486.58 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[7-amino-3-(3-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate is sourced from PubChem (CID 46891275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).