N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide

C22H21N7OS — CID 59298869

IUPACN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)C1CC1
InChIInChI=1S/C22H21N7OS/c30-21(14-3-4-14)24-15-5-7-16(8-6-15)31-20-12-19-23-9-10-29(19)22(26-20)25-18-11-17(27-28-18)13-1-2-13/h5-14H,1-4H2,(H,24,30)(H2,25,26,27,28)
InChIKeyUAURZLAPSOYDRG-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.57
Rot. Bonds7

About N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 59298869) has the molecular formula C22H21N7OS and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID59298869
Molecular FormulaC22H21N7OS
Molecular Weight431.53 g/mol
Exact Mass431.15
IUPAC NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)C1CC1
InChIInChI=1S/C22H21N7OS/c30-21(14-3-4-14)24-15-5-7-16(8-6-15)31-20-12-19-23-9-10-29(19)22(26-20)25-18-11-17(27-28-18)13-1-2-13/h5-14H,1-4H2,(H,24,30)(H2,25,26,27,28)
InChIKeyUAURZLAPSOYDRG-UHFFFAOYSA-N
XLogP4.57
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 59298869) is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)C1CC1.
What is the InChIKey of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is UAURZLAPSOYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7OS/c30-21(14-3-4-14)24-15-5-7-16(8-6-15)31-20-12-19-23-9-10-29(19)22(26-20)25-18-11-17(27-28-18)13-1-2-13/h5-14H,1-4H2,(H,24,30)(H2,25,26,27,28).
What are the key properties of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 431.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 59298869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).