N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C19H21N7O — CID 56895023

IUPACN,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N(C)Cc2cc(-c3cccnc3)no2)c2cnn(C)c2n1
InChIInChI=1S/C19H21N7O/c1-12(2)17-22-18(15-10-21-26(4)19(15)23-17)25(3)11-14-8-16(24-27-14)13-6-5-7-20-9-13/h5-10,12H,11H2,1-4H3
InChIKeyGAUKODUEILBQKD-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.17
Rot. Bonds5

About N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56895023) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56895023
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N(C)Cc2cc(-c3cccnc3)no2)c2cnn(C)c2n1
InChIInChI=1S/C19H21N7O/c1-12(2)17-22-18(15-10-21-26(4)19(15)23-17)25(3)11-14-8-16(24-27-14)13-6-5-7-20-9-13/h5-10,12H,11H2,1-4H3
InChIKeyGAUKODUEILBQKD-UHFFFAOYSA-N
XLogP3.17
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 56895023) is N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)c1nc(N(C)Cc2cc(-c3cccnc3)no2)c2cnn(C)c2n1.
What is the InChIKey of N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GAUKODUEILBQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12(2)17-22-18(15-10-21-26(4)19(15)23-17)25(3)11-14-8-16(24-27-14)13-6-5-7-20-9-13/h5-10,12H,11H2,1-4H3.
What are the key properties of N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 363.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-propan-2-yl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56895023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).