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

C23H24N8O2S — CID 59298870

IUPACN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCOCC1
InChIInChI=1S/C23H24N8O2S/c32-23(30-9-11-33-12-10-30)25-16-3-5-17(6-4-16)34-21-14-20-24-7-8-31(20)22(27-21)26-19-13-18(28-29-19)15-1-2-15/h3-8,13-15H,1-2,9-12H2,(H,25,32)(H2,26,27,28,29)
InChIKeyYGNFFAWLTJQZRX-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.09
Rot. Bonds6

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

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide (PubChem CID 59298870) has the molecular formula C23H24N8O2S and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide
PubChem CID59298870
Molecular FormulaC23H24N8O2S
Molecular Weight476.57 g/mol
Exact Mass476.17
IUPAC NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCOCC1
InChIInChI=1S/C23H24N8O2S/c32-23(30-9-11-33-12-10-30)25-16-3-5-17(6-4-16)34-21-14-20-24-7-8-31(20)22(27-21)26-19-13-18(28-29-19)15-1-2-15/h3-8,13-15H,1-2,9-12H2,(H,25,32)(H2,26,27,28,29)
InChIKeyYGNFFAWLTJQZRX-UHFFFAOYSA-N
XLogP4.09
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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]morpholine-4-carboxamide?
The IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide (CID 59298870) is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide is O=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCOCC1.
What is the InChIKey of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide?
The InChIKey is YGNFFAWLTJQZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2S/c32-23(30-9-11-33-12-10-30)25-16-3-5-17(6-4-16)34-21-14-20-24-7-8-31(20)22(27-21)26-19-13-18(28-29-19)15-1-2-15/h3-8,13-15H,1-2,9-12H2,(H,25,32)(H2,26,27,28,29).
What are the key properties of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide?
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]morpholine-4-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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]morpholine-4-carboxamide is sourced from PubChem (CID 59298870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).