6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde

C24H30ClN7O2 — CID 145290023

IUPAC6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde
SMILES[H]/N=C(/c1c(N2CCC(N3CCOCC3)CC2)cc(C=O)nc1Nc1ccnc(Cl)n1)C1CCC1
InChIInChI=1S/C24H30ClN7O2/c25-24-27-7-4-20(30-24)29-23-21(22(26)16-2-1-3-16)19(14-17(15-33)28-23)32-8-5-18(6-9-32)31-10-12-34-13-11-31/h4,7,14-16,18,26H,1-3,5-6,8-13H2,(H,27,28,29,30)/b26-22+
InChIKeyYTPDGKZPHUVZFY-XTCLZLMSSA-N
MW484.00 g/mol
LogP3.55
Rot. Bonds7

About 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde

6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde (PubChem CID 145290023) has the molecular formula C24H30ClN7O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde
PubChem CID145290023
Molecular FormulaC24H30ClN7O2
Molecular Weight484.00 g/mol
Exact Mass483.21
IUPAC Name6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde
SMILES[H]/N=C(/c1c(N2CCC(N3CCOCC3)CC2)cc(C=O)nc1Nc1ccnc(Cl)n1)C1CCC1
InChIInChI=1S/C24H30ClN7O2/c25-24-27-7-4-20(30-24)29-23-21(22(26)16-2-1-3-16)19(14-17(15-33)28-23)32-8-5-18(6-9-32)31-10-12-34-13-11-31/h4,7,14-16,18,26H,1-3,5-6,8-13H2,(H,27,28,29,30)/b26-22+
InChIKeyYTPDGKZPHUVZFY-XTCLZLMSSA-N
XLogP3.55
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(cyclobutanecarboximidoyl)-6-[(2-ethoxypyrimidin-4-yl)amino]-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde;methanol
CID 145290649
6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 129024212
6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
CID 155030047
2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329
3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde
CID 145290437
methyl 6-anilino-5-(cyclobutanecarboximidoyl)-4-(4-methoxypiperidin-1-yl)pyridine-2-carboxylate
CID 129024037
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 129024316
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023914
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
4-N-[2-(5-chloro-2,4-difluorophenyl)pyrimidin-4-yl]-2-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 166035650
4-N-(2-chloropyrimidin-4-yl)-2-N-[4-[4-(methylamino)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 159568006

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde?
The IUPAC name of 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde (CID 145290023) is 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde is [H]/N=C(/c1c(N2CCC(N3CCOCC3)CC2)cc(C=O)nc1Nc1ccnc(Cl)n1)C1CCC1.
What is the InChIKey of 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde?
The InChIKey is YTPDGKZPHUVZFY-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H30ClN7O2/c25-24-27-7-4-20(30-24)29-23-21(22(26)16-2-1-3-16)19(14-17(15-33)28-23)32-8-5-18(6-9-32)31-10-12-34-13-11-31/h4,7,14-16,18,26H,1-3,5-6,8-13H2,(H,27,28,29,30)/b26-22+.
What are the key properties of 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde?
6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde has a molecular weight of 484.00 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloropyrimidin-4-yl)amino]-5-(cyclobutanecarboximidoyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 145290023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).