N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

C22H23N7 — CID 56720907

IUPACN-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESc1ccc(-c2cnn3cc(CN4CCC(Nc5ncccn5)CC4)cnc23)cc1
InChIInChI=1S/C22H23N7/c1-2-5-18(6-3-1)20-14-26-29-16-17(13-25-21(20)29)15-28-11-7-19(8-12-28)27-22-23-9-4-10-24-22/h1-6,9-10,13-14,16,19H,7-8,11-12,15H2,(H,23,24,27)
InChIKeyBOCFISLTPSIVST-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.26
Rot. Bonds5

About N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 56720907) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID56720907
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC NameN-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESc1ccc(-c2cnn3cc(CN4CCC(Nc5ncccn5)CC4)cnc23)cc1
InChIInChI=1S/C22H23N7/c1-2-5-18(6-3-1)20-14-26-29-16-17(13-25-21(20)29)15-28-11-7-19(8-12-28)27-22-23-9-4-10-24-22/h1-6,9-10,13-14,16,19H,7-8,11-12,15H2,(H,23,24,27)
InChIKeyBOCFISLTPSIVST-UHFFFAOYSA-N
XLogP3.26
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine with MolForge

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Related Compounds

2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
CID 56704340
1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-ol
CID 56701762
(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
CID 56704570
6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 166072855
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
(3S,4S)-4-methyl-9-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165421390
5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95231041
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
[3-(2-methylpropyl)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-yl]methanol
CID 56702001
3-methyl-7-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56913773
3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
CID 56715904
3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95218517

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (CID 56720907) is N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is c1ccc(-c2cnn3cc(CN4CCC(Nc5ncccn5)CC4)cnc23)cc1.
What is the InChIKey of N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is BOCFISLTPSIVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-2-5-18(6-3-1)20-14-26-29-16-17(13-25-21(20)29)15-28-11-7-19(8-12-28)27-22-23-9-4-10-24-22/h1-6,9-10,13-14,16,19H,7-8,11-12,15H2,(H,23,24,27).
What are the key properties of N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 385.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 56720907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).