7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C26H25N7O3 — CID 67494486

IUPAC7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C26H25N7O3/c27-12-19-23(17-8-10-32(11-9-17)26(36)22(35)15-34)31-25-20(14-30-33(25)24(19)28)18-6-7-21(29-13-18)16-4-2-1-3-5-16/h1-7,13-14,17,22,34-35H,8-11,15,28H2/t22-/m1/s1
InChIKeyOIUFNCFHMWIXPA-JOCHJYFZSA-N
MW483.53 g/mol
LogP1.97
Rot. Bonds5

About 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 67494486) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID67494486
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C26H25N7O3/c27-12-19-23(17-8-10-32(11-9-17)26(36)22(35)15-34)31-25-20(14-30-33(25)24(19)28)18-6-7-21(29-13-18)16-4-2-1-3-5-16/h1-7,13-14,17,22,34-35H,8-11,15,28H2/t22-/m1/s1
InChIKeyOIUFNCFHMWIXPA-JOCHJYFZSA-N
XLogP1.97
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

US10759793, Example 47
CID 124125734
5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in-2-yl)methyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-l-(2-hydroxyethyl)pyridin-2(1H)-one
CID 146443751
US10023570, Example 210
CID 124199373
US10023570, Example 32
CID 124199471
US10023570, Example 55
CID 124199477
US10023570, Example 85
CID 124199479
US10023570, Example 56
CID 124199480
US10023570, Example 57
CID 124199636
US10023570, Example 729
CID 124199810
US10023570, Example 727
CID 124200165
US10023570, Example 206
CID 124200202
US10023570, Example 216
CID 124200204

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 67494486) is 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1c(C2CCN(C(=O)[C@H](O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is OIUFNCFHMWIXPA-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25N7O3/c27-12-19-23(17-8-10-32(11-9-17)26(36)22(35)15-34)31-25-20(14-30-33(25)24(19)28)18-6-7-21(29-13-18)16-4-2-1-3-5-16/h1-7,13-14,17,22,34-35H,8-11,15,28H2/t22-/m1/s1.
What are the key properties of 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 483.53 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[1-[(2R)-2,3-dihydroxypropanoyl]piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 67494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).