4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine

C18H16N4O — CID 90967078

IUPAC4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine
SMILESCn1ncc(-c2ccc3c(c2)CCC3N=O)c1-c1ccncc1
InChIInChI=1S/C18H16N4O/c1-22-18(12-6-8-19-9-7-12)16(11-20-22)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3
InChIKeyQUVQCDXLKWRQAX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.90
Rot. Bonds3

About 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine

4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine (PubChem CID 90967078) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine
PubChem CID90967078
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine
SMILESCn1ncc(-c2ccc3c(c2)CCC3N=O)c1-c1ccncc1
InChIInChI=1S/C18H16N4O/c1-22-18(12-6-8-19-9-7-12)16(11-20-22)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3
InChIKeyQUVQCDXLKWRQAX-UHFFFAOYSA-N
XLogP3.90
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Gdc-0879
CID 11717001
(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
CID 11653652
(E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
CID 25093303
Pyrazole-based inhibitor, 31
CID 135399664
Pyrazole-based inhibitor, 32
CID 135505774
Pyrazole-based inhibitor, 1
CID 91051236
2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethan-1-ol
CID 91448975
trans-(1S,2S)-2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]cyclopentan-1-ol
CID 11545261
3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propane-1,2-diol
CID 11566757
(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11616462
(NE)-N-[5-[1-(oxan-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11624965
(NE)-N-[5-[1-(1-methylpiperidin-4-yl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11639637

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine?
The IUPAC name of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine (CID 90967078) is 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine?
The canonical SMILES for 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine is Cn1ncc(-c2ccc3c(c2)CCC3N=O)c1-c1ccncc1.
What is the InChIKey of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine?
The InChIKey is QUVQCDXLKWRQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22-18(12-6-8-19-9-7-12)16(11-20-22)14-2-4-15-13(10-14)3-5-17(15)21-23/h2,4,6-11,17H,3,5H2,1H3.
What are the key properties of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine?
4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine has a molecular weight of 304.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-5-yl]pyridine is sourced from PubChem (CID 90967078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).