N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

C19H20BrN5O2 — CID 53146867

IUPACN-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3ccccc3Br)CC2)cc(=O)n2nccc12
InChIInChI=1S/C19H20BrN5O2/c1-23-16(12-18(26)25-17(23)6-9-21-25)13-7-10-24(11-8-13)19(27)22-15-5-3-2-4-14(15)20/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,27)
InChIKeyFSZGFSGKNIETDN-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.21
Rot. Bonds2

About N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide

N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (PubChem CID 53146867) has the molecular formula C19H20BrN5O2 and a molecular weight of 430.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
PubChem CID53146867
Molecular FormulaC19H20BrN5O2
Molecular Weight430.31 g/mol
Exact Mass429.08
IUPAC NameN-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
SMILESCn1c(C2CCN(C(=O)Nc3ccccc3Br)CC2)cc(=O)n2nccc12
InChIInChI=1S/C19H20BrN5O2/c1-23-16(12-18(26)25-17(23)6-9-21-25)13-7-10-24(11-8-13)19(27)22-15-5-3-2-4-14(15)20/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,27)
InChIKeyFSZGFSGKNIETDN-UHFFFAOYSA-N
XLogP3.21
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146894
4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 53146897
N-[(4-fluorophenyl)methyl]-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide
CID 53146887
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 136521848
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
CID 86877003
N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127788298

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide (CID 53146867) is N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is Cn1c(C2CCN(C(=O)Nc3ccccc3Br)CC2)cc(=O)n2nccc12.
What is the InChIKey of N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
The InChIKey is FSZGFSGKNIETDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O2/c1-23-16(12-18(26)25-17(23)6-9-21-25)13-7-10-24(11-8-13)19(27)22-15-5-3-2-4-14(15)20/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,27).
What are the key properties of N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide?
N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide has a molecular weight of 430.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(4-methyl-7-oxopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53146867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).