1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

C25H29N5O — CID 130197985

IUPAC1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCCn1cc(-c2ccc3c(n2)C(Nc2ccccc2)[C@@H](C)C(C2CC2)N3C(C)=O)cn1
InChIInChI=1S/C25H29N5O/c1-4-29-15-19(14-26-29)21-12-13-22-24(28-21)23(27-20-8-6-5-7-9-20)16(2)25(18-10-11-18)30(22)17(3)31/h5-9,12-16,18,23,25,27H,4,10-11H2,1-3H3/t16-,23?,25?/m1/s1
InChIKeyHSBJMQGFUIWXGV-UOMYTMTESA-N
MW415.54 g/mol
LogP4.90
Rot. Bonds5

About 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone

1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (PubChem CID 130197985) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
PubChem CID130197985
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
SMILESCCn1cc(-c2ccc3c(n2)C(Nc2ccccc2)[C@@H](C)C(C2CC2)N3C(C)=O)cn1
InChIInChI=1S/C25H29N5O/c1-4-29-15-19(14-26-29)21-12-13-22-24(28-21)23(27-20-8-6-5-7-9-20)16(2)25(18-10-11-18)30(22)17(3)31/h5-9,12-16,18,23,25,27H,4,10-11H2,1-3H3/t16-,23?,25?/m1/s1
InChIKeyHSBJMQGFUIWXGV-UOMYTMTESA-N
XLogP4.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 85472288
1-[(2S,3R,4R)-4-anilino-2-cyclopropyl-3-methyl-6-morpholin-4-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 85472426
1-[(3R)-4-anilino-2-cyclopropyl-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081366
1-[(2S,3R)-4-anilino-2-cyclopropyl-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 130202529
4-[(3R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 129081516
4-[(2S,3R,4R)-1-acetyl-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid
CID 85472290
1-[(2S,3R,4R)-4-amino-6-(1-benzylpyrazol-4-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 90428546
1-[(2S,3R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 129081342
1-[(2S,3R,4R)-2-cyclopropyl-3-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118673230
[(6S,7R)-5-acetyl-6-cyclopropyl-7-methyl-8-[(6-methyl-2-pyridinyl)amino]-7,8-dihydro-6H-1,5-naphthyridin-2-yl] trifluoromethanesulfonate
CID 129081199
1-[2-cyclopropyl-4-(3-fluoroanilino)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123671063
6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid
CID 116533312

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone (CID 130197985) is 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is CCn1cc(-c2ccc3c(n2)C(Nc2ccccc2)[C@@H](C)C(C2CC2)N3C(C)=O)cn1.
What is the InChIKey of 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
The InChIKey is HSBJMQGFUIWXGV-UOMYTMTESA-N. The full InChI is InChI=1S/C25H29N5O/c1-4-29-15-19(14-26-29)21-12-13-22-24(28-21)23(27-20-8-6-5-7-9-20)16(2)25(18-10-11-18)30(22)17(3)31/h5-9,12-16,18,23,25,27H,4,10-11H2,1-3H3/t16-,23?,25?/m1/s1.
What are the key properties of 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone?
1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone has a molecular weight of 415.54 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-anilino-2-cyclopropyl-6-(1-ethylpyrazol-4-yl)-3-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]ethanone is sourced from PubChem (CID 130197985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).