N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C22H29N5O — CID 95874316

IUPACN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN1CCC[C@@H](CNc2cc(-c3ccccc3)nc3cc(C)nn23)C1
InChIInChI=1S/C22H29N5O/c1-17-13-22-24-20(19-8-4-3-5-9-19)14-21(27(22)25-17)23-15-18-7-6-10-26(16-18)11-12-28-2/h3-5,8-9,13-14,18,23H,6-7,10-12,15-16H2,1-2H3/t18-/m0/s1
InChIKeyGFJYJEIANNVXMM-SFHVURJKSA-N
MW379.51 g/mol
LogP3.48
Rot. Bonds7

About N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95874316) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95874316
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCN1CCC[C@@H](CNc2cc(-c3ccccc3)nc3cc(C)nn23)C1
InChIInChI=1S/C22H29N5O/c1-17-13-22-24-20(19-8-4-3-5-9-19)14-21(27(22)25-17)23-15-18-7-6-10-26(16-18)11-12-28-2/h3-5,8-9,13-14,18,23H,6-7,10-12,15-16H2,1-2H3/t18-/m0/s1
InChIKeyGFJYJEIANNVXMM-SFHVURJKSA-N
XLogP3.48
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95874316) is N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COCCN1CCC[C@@H](CNc2cc(-c3ccccc3)nc3cc(C)nn23)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GFJYJEIANNVXMM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-13-22-24-20(19-8-4-3-5-9-19)14-21(27(22)25-17)23-15-18-7-6-10-26(16-18)11-12-28-2/h3-5,8-9,13-14,18,23H,6-7,10-12,15-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 379.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95874316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).