N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide

C19H20N6O2 — CID 162654539

IUPACN-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccnc(Nc3cnn(CCOC)c3)n2)c1
InChIInChI=1S/C19H20N6O2/c1-3-18(26)22-15-6-4-5-14(11-15)17-7-8-20-19(24-17)23-16-12-21-25(13-16)9-10-27-2/h3-8,11-13H,1,9-10H2,2H3,(H,22,26)(H,20,23,24)
InChIKeyHBOFECHJKDFFLD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.85
Rot. Bonds8

About N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide

N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide (PubChem CID 162654539) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
PubChem CID162654539
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccnc(Nc3cnn(CCOC)c3)n2)c1
InChIInChI=1S/C19H20N6O2/c1-3-18(26)22-15-6-4-5-14(11-15)17-7-8-20-19(24-17)23-16-12-21-25(13-16)9-10-27-2/h3-8,11-13H,1,9-10H2,2H3,(H,22,26)(H,20,23,24)
InChIKeyHBOFECHJKDFFLD-UHFFFAOYSA-N
XLogP2.85
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Biib-068
CID 118139356
BI-1935
CID 57861407
N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139372
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
Jak2-IN-7
CID 155925850
1-ethyl-3-[4-[7-[(3S)-3-ethylmorpholin-4-yl]-1-methylpyrazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 51355620
1-[[4-[2-[[1-(2-Hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-(trifluoromethyl)phenyl]methyl]-4-(2-methylpropyl)piperazin-2-one
CID 118139347
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]methyl]phenyl]prop-2-enamide
CID 118475617
N-[3-[[[5-chloro-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475618
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475621
N-[3-[[[2-[[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]amino]-5-chloropyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475623

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide (CID 162654539) is N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccnc(Nc3cnn(CCOC)c3)n2)c1.
What is the InChIKey of N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
The InChIKey is HBOFECHJKDFFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-3-18(26)22-15-6-4-5-14(11-15)17-7-8-20-19(24-17)23-16-12-21-25(13-16)9-10-27-2/h3-8,11-13H,1,9-10H2,2H3,(H,22,26)(H,20,23,24).
What are the key properties of N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide?
N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide has a molecular weight of 364.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162654539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).