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

C19H21N7O — CID 155551849

IUPACN-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C19H21N7O/c1-2-18(27)21-13-4-3-5-14(10-13)22-19-20-9-8-16(24-19)23-17-11-15(25-26-17)12-6-7-12/h3-5,8-12H,2,6-7H2,1H3,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeyZRLVZOCPZOJOQZ-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.91
Rot. Bonds7

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

N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide (PubChem CID 155551849) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide
PubChem CID155551849
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C19H21N7O/c1-2-18(27)21-13-4-3-5-14(10-13)22-19-20-9-8-16(24-19)23-17-11-15(25-26-17)12-6-7-12/h3-5,8-12H,2,6-7H2,1H3,(H,21,27)(H3,20,22,23,24,25,26)
InChIKeyZRLVZOCPZOJOQZ-UHFFFAOYSA-N
XLogP3.91
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide (CID 155551849) is N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide?
The InChIKey is ZRLVZOCPZOJOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-18(27)21-13-4-3-5-14(10-13)22-19-20-9-8-16(24-19)23-17-11-15(25-26-17)12-6-7-12/h3-5,8-12H,2,6-7H2,1H3,(H,21,27)(H3,20,22,23,24,25,26).
What are the key properties of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide?
N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide has a molecular weight of 363.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 155551849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).