N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide

C18H18ClN7O — CID 59757871

IUPACN-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C18H18ClN7O/c1-10(27)21-12-4-5-13(19)15(8-12)22-18-20-7-6-16(24-18)23-17-9-14(25-26-17)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeyNMXATACGVASWPW-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.18
Rot. Bonds6

About N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 59757871) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID59757871
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC NameN-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C18H18ClN7O/c1-10(27)21-12-4-5-13(19)15(8-12)22-18-20-7-6-16(24-18)23-17-9-14(25-26-17)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeyNMXATACGVASWPW-UHFFFAOYSA-N
XLogP4.18
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

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CID 66927429
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CID 137639624
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CID 155510646
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CID 155536712
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CID 155543651
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CID 155551817

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide (CID 59757871) is N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Cl)c(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is NMXATACGVASWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c1-10(27)21-12-4-5-13(19)15(8-12)22-18-20-7-6-16(24-18)23-17-9-14(25-26-17)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,21,27)(H3,20,22,23,24,25,26).
What are the key properties of N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 383.84 g/mol, XLogP of 4.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 59757871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).