N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H16N6 — CID 95971551

IUPACN-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2[nH]ncc12)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H16N6/c1-12(23-17-16-10-22-24-18(16)21-11-20-17)13-4-6-14(7-5-13)15-3-2-8-19-9-15/h2-12H,1H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyKUWDPONSRDTWLS-GFCCVEGCSA-N
MW316.37 g/mol
LogP3.59
Rot. Bonds4

About N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95971551) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95971551
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC NameN-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2[nH]ncc12)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C18H16N6/c1-12(23-17-16-10-22-24-18(16)21-11-20-17)13-4-6-14(7-5-13)15-3-2-8-19-9-15/h2-12H,1H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyKUWDPONSRDTWLS-GFCCVEGCSA-N
XLogP3.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 89431847
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 167792462
N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
CID 102554259
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99809761
5-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133485202
4-(4-butan-2-ylphenyl)-3-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]isochromen-1-one
CID 123136009
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133365495
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133305144
5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80779879
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286334
N-[cyclobutyl-(4-fluorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286362

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 95971551) is N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2[nH]ncc12)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KUWDPONSRDTWLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N6/c1-12(23-17-16-10-22-24-18(16)21-11-20-17)13-4-6-14(7-5-13)15-3-2-8-19-9-15/h2-12H,1H3,(H2,20,21,22,23,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 316.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95971551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).