6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H15N5O2 — CID 645996

IUPAC6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccncc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C19H15N5O2/c1-25-13-4-2-12(3-5-13)17-16-15(11-6-8-22-9-7-11)14(10-20)18(21)26-19(16)24-23-17/h2-9,15H,21H2,1H3,(H,23,24)
InChIKeyNNAUQUULQPNDCY-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.70
Rot. Bonds3

About 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 645996) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID645996
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2[nH]nc3c2C(c2ccncc2)C(C#N)=C(N)O3)cc1
InChIInChI=1S/C19H15N5O2/c1-25-13-4-2-12(3-5-13)17-16-15(11-6-8-22-9-7-11)14(10-20)18(21)26-19(16)24-23-17/h2-9,15H,21H2,1H3,(H,23,24)
InChIKeyNNAUQUULQPNDCY-UHFFFAOYSA-N
XLogP2.70
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
5-(6,7-Dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2-carbonitrile
CID 44442329
6-Amino-3-ethyl-4-(4-pyridinyl)-1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 653607
6-Amino-3-tert-BU-4-(3-pyridinyl)1,4-dihydropyrano(2,3-C)pyrazole-5-carbonitrile
CID 612356
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
6-Amino-4-(2,5-difluorophenyl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961937
6-Amino-4-(2-chloro-6-fluoro-phenyl)-3-pyridin-2-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 630398
6-Amino-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 658129
6-Amino-1-methyl-3-propyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 660117
6-Amino-3-(4-ethoxyphenyl)-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 664707
6-Amino-3-tert-butyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945699
6-Amino-3-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3236045

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 645996) is 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(-c2[nH]nc3c2C(c2ccncc2)C(C#N)=C(N)O3)cc1.
What is the InChIKey of 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NNAUQUULQPNDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-25-13-4-2-12(3-5-13)17-16-15(11-6-8-22-9-7-11)14(10-20)18(21)26-19(16)24-23-17/h2-9,15H,21H2,1H3,(H,23,24).
What are the key properties of 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-methoxyphenyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 645996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).