2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C20H18N8O — CID 122316044

IUPAC2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C20H18N8O/c29-20(13-28-11-3-10-24-28)26-16-7-5-15(6-8-16)25-18-12-19(23-14-22-18)27-17-4-1-2-9-21-17/h1-12,14H,13H2,(H,26,29)(H2,21,22,23,25,27)
InChIKeyGCKPCBOJUIKHES-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.19
Rot. Bonds7

About 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122316044) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122316044
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C20H18N8O/c29-20(13-28-11-3-10-24-28)26-16-7-5-15(6-8-16)25-18-12-19(23-14-22-18)27-17-4-1-2-9-21-17/h1-12,14H,13H2,(H,26,29)(H2,21,22,23,25,27)
InChIKeyGCKPCBOJUIKHES-UHFFFAOYSA-N
XLogP3.19
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-oxopyridazin-1-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316049
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
2-(4-chlorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315807
2-(4-fluorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315816
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316019
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
2-(1H-indol-3-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315814
benzyl N-[2-oxo-2-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]anilino]ethyl]carbamate
CID 122316030
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 122316044) is 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is O=C(Cn1cccn1)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1.
What is the InChIKey of 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is GCKPCBOJUIKHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c29-20(13-28-11-3-10-24-28)26-16-7-5-15(6-8-16)25-18-12-19(23-14-22-18)27-17-4-1-2-9-21-17/h1-12,14H,13H2,(H,26,29)(H2,21,22,23,25,27).
What are the key properties of 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 386.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122316044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).