6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

C24H28FN5O2 — CID 90301820

IUPAC6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(Nc3ccc(F)cc3)cc2C#N)C[C@H]1C
InChIInChI=1S/C24H28FN5O2/c1-16-15-29(10-11-30(16)22(31)9-12-32-2)24-18(14-26)13-21(23(28-24)17-3-4-17)27-20-7-5-19(25)6-8-20/h5-8,13,16-17,27H,3-4,9-12,15H2,1-2H3/t16-/m1/s1
InChIKeyDZXGHPKXENFXBB-MRXNPFEDSA-N
MW437.52 g/mol
LogP3.79
Rot. Bonds7

About 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 90301820) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID90301820
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(Nc3ccc(F)cc3)cc2C#N)C[C@H]1C
InChIInChI=1S/C24H28FN5O2/c1-16-15-29(10-11-30(16)22(31)9-12-32-2)24-18(14-26)13-21(23(28-24)17-3-4-17)27-20-7-5-19(25)6-8-20/h5-8,13,16-17,27H,3-4,9-12,15H2,1-2H3/t16-/m1/s1
InChIKeyDZXGHPKXENFXBB-MRXNPFEDSA-N
XLogP3.79
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-5-[(4-ethynyl-2-pyridinyl)amino]-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288290
N-[4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 90301565
6-cyclopropyl-5-[(5-ethenylpyridazin-3-yl)amino]-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123750237
4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]benzamide
CID 71119558
6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-(2-methylpyrazol-3-yl)pyridine-3-carbonitrile
CID 71119233
6-cyclopropyl-5-(4-fluorophenyl)-4-(methoxymethyl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71118923
5-[(2-chloro-4-pyridinyl)oxy]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288229
6-cyclopropyl-5-(3-ethylphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 135292165
5-[2,6-bis(ethenyl)-4-pyridinyl]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 90301745
6-cyclopropyl-5-(4-ethenyl-2-pyridinyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123352521
6-cyclopropyl-5-[3-(2-hydroxyethyl)phenyl]-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71119520
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-quinolin-5-ylpyridine-3-carbonitrile
CID 90301665

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile (CID 90301820) is 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile is COCCC(=O)N1CCN(c2nc(C3CC3)c(Nc3ccc(F)cc3)cc2C#N)C[C@H]1C.
What is the InChIKey of 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DZXGHPKXENFXBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-16-15-29(10-11-30(16)22(31)9-12-32-2)24-18(14-26)13-21(23(28-24)17-3-4-17)27-20-7-5-19(25)6-8-20/h5-8,13,16-17,27H,3-4,9-12,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile?
6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 437.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-(4-fluoroanilino)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 90301820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).