N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H23N5O2 — CID 170948223

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc2cc(C3CCNCC3)nn2c1
InChIInChI=1S/C21H23N5O2/c27-21(24-17-7-10-28-19-4-2-1-3-16(17)19)15-12-23-20-11-18(25-26(20)13-15)14-5-8-22-9-6-14/h1-4,11-14,17,22H,5-10H2,(H,24,27)/t17-/m0/s1
InChIKeyHVUUQZNILYRAIO-KRWDZBQOSA-N
MW377.45 g/mol
LogP2.45
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 170948223) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID170948223
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cnc2cc(C3CCNCC3)nn2c1
InChIInChI=1S/C21H23N5O2/c27-21(24-17-7-10-28-19-4-2-1-3-16(17)19)15-12-23-20-11-18(25-26(20)13-15)14-5-8-22-9-6-14/h1-4,11-14,17,22H,5-10H2,(H,24,27)/t17-/m0/s1
InChIKeyHVUUQZNILYRAIO-KRWDZBQOSA-N
XLogP2.45
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948210
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948323
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94018271
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948274
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyrrolidin-3-yl-1,3-benzothiazole-6-carboxamide
CID 164875095
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 170948223) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1cnc2cc(C3CCNCC3)nn2c1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HVUUQZNILYRAIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(24-17-7-10-28-19-4-2-1-3-16(17)19)15-12-23-20-11-18(25-26(20)13-15)14-5-8-22-9-6-14/h1-4,11-14,17,22H,5-10H2,(H,24,27)/t17-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 170948223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).