2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol

C19H22N6O2 — CID 56741349

IUPAC2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol
SMILESCOc1cccc(-c2n[nH]c3c2CN(c2cc(NCCO)ncn2)CC3)c1
InChIInChI=1S/C19H22N6O2/c1-27-14-4-2-3-13(9-14)19-15-11-25(7-5-16(15)23-24-19)18-10-17(20-6-8-26)21-12-22-18/h2-4,9-10,12,26H,5-8,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyJAPXUKWPUWENKN-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.84
Rot. Bonds6

About 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol

2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 56741349) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID56741349
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol
SMILESCOc1cccc(-c2n[nH]c3c2CN(c2cc(NCCO)ncn2)CC3)c1
InChIInChI=1S/C19H22N6O2/c1-27-14-4-2-3-13(9-14)19-15-11-25(7-5-16(15)23-24-19)18-10-17(20-6-8-26)21-12-22-18/h2-4,9-10,12,26H,5-8,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyJAPXUKWPUWENKN-UHFFFAOYSA-N
XLogP1.84
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol (CID 56741349) is 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol is COc1cccc(-c2n[nH]c3c2CN(c2cc(NCCO)ncn2)CC3)c1.
What is the InChIKey of 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is JAPXUKWPUWENKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-14-4-2-3-13(9-14)19-15-11-25(7-5-16(15)23-24-19)18-10-17(20-6-8-26)21-12-22-18/h2-4,9-10,12,26H,5-8,11H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol?
2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 366.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 56741349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).