tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate

C28H34N8O3 — CID 168922087

IUPACtert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)CC1
InChIInChI=1S/C28H34N8O3/c1-28(2,3)39-27(37)34-11-6-21(7-12-34)22-8-13-35(31-22)24-19-26(33-14-16-38-17-15-33)36-25(30-24)18-23(32-36)20-4-9-29-10-5-20/h4-5,8-10,13,18-19,21H,6-7,11-12,14-17H2,1-3H3
InChIKeyPBWLLFBYVZENOW-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 168922087) has the molecular formula C28H34N8O3 and a molecular weight of 530.63 g/mol. Its IUPAC name is tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID168922087
Molecular FormulaC28H34N8O3
Molecular Weight530.63 g/mol
Exact Mass530.28
IUPAC Nametert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)CC1
InChIInChI=1S/C28H34N8O3/c1-28(2,3)39-27(37)34-11-6-21(7-12-34)22-8-13-35(31-22)24-19-26(33-14-16-38-17-15-33)36-25(30-24)18-23(32-36)20-4-9-29-10-5-20/h4-5,8-10,13,18-19,21H,6-7,11-12,14-17H2,1-3H3
InChIKeyPBWLLFBYVZENOW-UHFFFAOYSA-N
XLogP3.93
TPSA102.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate
CID 168921768
tert-butyl 4-[1-(5-chloro-2-pyridinyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 118166904
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
CID 162379298
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 136881552
4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
CID 168921735
5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167117
4-[5-(1-phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677
tert-butyl 4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 143560928
furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 44968162
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate (CID 168922087) is tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)CC1.
What is the InChIKey of tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is PBWLLFBYVZENOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O3/c1-28(2,3)39-27(37)34-11-6-21(7-12-34)22-8-13-35(31-22)24-19-26(33-14-16-38-17-15-33)36-25(30-24)18-23(32-36)20-4-9-29-10-5-20/h4-5,8-10,13,18-19,21H,6-7,11-12,14-17H2,1-3H3.
What are the key properties of tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 530.63 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 168922087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).