1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one

C27H37N5O3 — CID 89304692

IUPAC1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
SMILESC=CC(=O)N1CCC=C(c2c(C3CC3)nc(N3CCN(C(=O)CCO)[C@H](C4CC4)C3)c(N)c2C)C1
InChIInChI=1S/C27H37N5O3/c1-3-22(34)30-11-4-5-20(15-30)24-17(2)25(28)27(29-26(24)19-8-9-19)31-12-13-32(23(35)10-14-33)21(16-31)18-6-7-18/h3,5,18-19,21,33H,1,4,6-16,28H2,2H3/t21-/m0/s1
InChIKeyMCAAYFOEEXRVSG-NRFANRHFSA-N
MW479.63 g/mol
LogP2.46
Rot. Bonds7

About 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one

1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one (PubChem CID 89304692) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
PubChem CID89304692
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
SMILESC=CC(=O)N1CCC=C(c2c(C3CC3)nc(N3CCN(C(=O)CCO)[C@H](C4CC4)C3)c(N)c2C)C1
InChIInChI=1S/C27H37N5O3/c1-3-22(34)30-11-4-5-20(15-30)24-17(2)25(28)27(29-26(24)19-8-9-19)31-12-13-32(23(35)10-14-33)21(16-31)18-6-7-18/h3,5,18-19,21,33H,1,4,6-16,28H2,2H3/t21-/m0/s1
InChIKeyMCAAYFOEEXRVSG-NRFANRHFSA-N
XLogP2.46
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)pyridine-3-carbonitrile
CID 89288383
6-cyclopropyl-2-[3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)pyridine-3-carbonitrile
CID 89288384
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)pyridine-3-carbonitrile
CID 89288323
1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 89288159
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89304690
1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136839
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
CID 90305585
6-cyclopropyl-2-[3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(6-ethenylpyridazin-4-yl)pyridine-3-carbonitrile
CID 89288401
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-5-(6-ethenylpyridazin-4-yl)pyridine-3-carbonitrile
CID 86728556
1-[(2R)-4-[3-amino-5-(3-amino-4-fluorophenyl)-6-cyclopropyl-4-methyl-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300122
6-cyclopropyl-2-[3-cyclopropyl-4-[2-(oxetan-2-yl)acetyl]piperazin-1-yl]-5-(5-ethenylpyridazin-3-yl)-4-methylpyridine-3-carbonitrile
CID 90301363
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(5-ethenylpyridazin-3-yl)-4-methylpyridine-3-carbonitrile
CID 89288238

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one (CID 89304692) is 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one is C=CC(=O)N1CCC=C(c2c(C3CC3)nc(N3CCN(C(=O)CCO)[C@H](C4CC4)C3)c(N)c2C)C1.
What is the InChIKey of 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is MCAAYFOEEXRVSG-NRFANRHFSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-3-22(34)30-11-4-5-20(15-30)24-17(2)25(28)27(29-26(24)19-8-9-19)31-12-13-32(23(35)10-14-33)21(16-31)18-6-7-18/h3,5,18-19,21,33H,1,4,6-16,28H2,2H3/t21-/m0/s1.
What are the key properties of 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one?
1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 479.63 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[3-amino-6-cyclopropyl-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 89304692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).