N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide

C16H18N6O — CID 102554259

IUPACN-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C16H18N6O/c1-3-14(23)21-12-6-4-11(5-7-12)10(2)20-15-13-8-19-22-16(13)18-9-17-15/h4-10H,3H2,1-2H3,(H,21,23)(H2,17,18,19,20,22)
InChIKeyOETYZWDVNIPKFQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.87
Rot. Bonds5

About N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide

N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide (PubChem CID 102554259) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
PubChem CID102554259
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C16H18N6O/c1-3-14(23)21-12-6-4-11(5-7-12)10(2)20-15-13-8-19-22-16(13)18-9-17-15/h4-10H,3H2,1-2H3,(H,21,23)(H2,17,18,19,20,22)
InChIKeyOETYZWDVNIPKFQ-UHFFFAOYSA-N
XLogP2.87
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide (CID 102554259) is N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(C)Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide?
The InChIKey is OETYZWDVNIPKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-14(23)21-12-6-4-11(5-7-12)10(2)20-15-13-8-19-22-16(13)18-9-17-15/h4-10H,3H2,1-2H3,(H,21,23)(H2,17,18,19,20,22).
What are the key properties of N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide?
N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 102554259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).