(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide

C19H25BrN8O — CID 24821689

IUPAC(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CN1
InChIInChI=1S/C19H25BrN8O/c1-10(2)25-19(29)14-5-4-11(6-22-14)16-15(20)17(21)28-18(26-16)13(8-24-28)12-7-23-27(3)9-12/h7-11,14,22H,4-6,21H2,1-3H3,(H,25,29)/t11-,14-/m0/s1
InChIKeyYRRSFCCPQBYRCQ-FZMZJTMJSA-N
MW461.37 g/mol
LogP1.83
Rot. Bonds4

About (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide

(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide (PubChem CID 24821689) has the molecular formula C19H25BrN8O and a molecular weight of 461.37 g/mol. Its IUPAC name is (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide
PubChem CID24821689
Molecular FormulaC19H25BrN8O
Molecular Weight461.37 g/mol
Exact Mass460.13
IUPAC Name(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CN1
InChIInChI=1S/C19H25BrN8O/c1-10(2)25-19(29)14-5-4-11(6-22-14)16-15(20)17(21)28-18(26-16)13(8-24-28)12-7-23-27(3)9-12/h7-11,14,22H,4-6,21H2,1-3H3,(H,25,29)/t11-,14-/m0/s1
InChIKeyYRRSFCCPQBYRCQ-FZMZJTMJSA-N
XLogP1.83
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide with MolForge

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Related Compounds

Sch-900776
CID 46239015
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224745
6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 46239014
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53324706
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53324707
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53326007
5-[[(1S,3R)-3-aminocyclohexyl]methyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53320317
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53326873
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318087
[(1S,3R)-3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]azanium
CID 72200315
5-[(1r,3s)-3-Aminocyclohexyl]-6-Bromo-3-(1-Methyl-1h-Pyrazol-4-Yl)pyrazolo[1,5-A]pyrimidin-7-Amine
CID 49866432
6-Bromo-2-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 74832210

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide (CID 24821689) is (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide is CC(C)NC(=O)[C@@H]1CC[C@H](c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CN1.
What is the InChIKey of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is YRRSFCCPQBYRCQ-FZMZJTMJSA-N. The full InChI is InChI=1S/C19H25BrN8O/c1-10(2)25-19(29)14-5-4-11(6-22-14)16-15(20)17(21)28-18(26-16)13(8-24-28)12-7-23-27(3)9-12/h7-11,14,22H,4-6,21H2,1-3H3,(H,25,29)/t11-,14-/m0/s1.
What are the key properties of (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide?
(2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 461.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 24821689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).