6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

C35H40Br2N14O2 — CID 159335756

IUPAC6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nc3c(-c4cnccn4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnccn3)cnn12
InChIInChI=1S/C20H24BrN7O2.C15H16BrN7/c1-20(2,3)30-19(29)27-8-4-5-12(11-27)16-15(21)17(22)28-18(26-16)13(9-25-28)14-10-23-6-7-24-14;16-12-13(9-2-1-3-18-6-9)22-15-10(7-21-23(15)14(12)17)11-8-19-4-5-20-11/h6-7,9-10,12H,4-5,8,11,22H2,1-3H3;4-5,7-9,18H,1-3,6,17H2
InChIKeyLFMWZNKAULDMDG-UHFFFAOYSA-N
MW848.61 g/mol
LogP5.64
Rot. Bonds4

About 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 159335756) has the molecular formula C35H40Br2N14O2 and a molecular weight of 848.61 g/mol. Its IUPAC name is 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID159335756
Molecular FormulaC35H40Br2N14O2
Molecular Weight848.61 g/mol
Exact Mass846.18
IUPAC Name6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nc3c(-c4cnccn4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnccn3)cnn12
InChIInChI=1S/C20H24BrN7O2.C15H16BrN7/c1-20(2,3)30-19(29)27-8-4-5-12(11-27)16-15(21)17(22)28-18(26-16)13(9-25-28)14-10-23-6-7-24-14;16-12-13(9-2-1-3-18-6-9)22-15-10(7-21-23(15)14(12)17)11-8-19-4-5-20-11/h6-7,9-10,12H,4-5,8,11,22H2,1-3H3;4-5,7-9,18H,1-3,6,17H2
InChIKeyLFMWZNKAULDMDG-UHFFFAOYSA-N
XLogP5.64
TPSA205.55 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.61
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-[3-(4-fluorophenyl)-4-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-1-methylpyrazol-5-yl]piperazine-1-carboxylate
CID 90240413
tert-butyl (3S,4S)-3-fluoro-4-[[6-(6-pyrazolo[1,5-a]pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 164537066
tert-butyl (3R)-3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 56653104
Tert-butyl 3-[7-[(2-ethylpyrazol-3-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758507
Tert-butyl 3-[3-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758516
Tert-butyl 3-[3-(1-methylpyrazol-4-yl)-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758548
Tert-butyl 3-[3-(1-methylpyrazol-4-yl)-7-[[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758557
Tert-butyl 3-[7-[(5-bromopyrimidin-2-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758562
Tert-butyl 3-(7-amino-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 57891197
Tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 57891245
Tert-butyl 3-[7-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57891247
Tert-butyl 3-[[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidine-1-carboxylate
CID 57891248

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (CID 159335756) is 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2nc3c(-c4cnccn4)cnn3c(N)c2Br)C1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnccn3)cnn12.
What is the InChIKey of 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is LFMWZNKAULDMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN7O2.C15H16BrN7/c1-20(2,3)30-19(29)27-8-4-5-12(11-27)16-15(21)17(22)28-18(26-16)13(9-25-28)14-10-23-6-7-24-14;16-12-13(9-2-1-3-18-6-9)22-15-10(7-21-23(15)14(12)17)11-8-19-4-5-20-11/h6-7,9-10,12H,4-5,8,11,22H2,1-3H3;4-5,7-9,18H,1-3,6,17H2.
What are the key properties of 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 848.61 g/mol, XLogP of 5.64, 4 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 3-(7-amino-6-bromo-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 159335756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).