cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen

C24H24N4O — CID 171511787

IUPACcis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccccn2)cc1-c1cnc2cccn2c1.[H][H]
InChIInChI=1S/C24H22N4O.H2/c1-16-7-8-18(13-21(16)17-14-26-23-6-4-12-28(23)15-17)27-24(29)20-10-9-19(20)22-5-2-3-11-25-22;/h2-8,11-15,19-20H,9-10H2,1H3,(H,27,29);1H/t19-,20+;/m0./s1
InChIKeyHPFHASFLUHRCSB-CMXBXVFLSA-N
MW384.48 g/mol
LogP5.08
Rot. Bonds4

About cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen

cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen (PubChem CID 171511787) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen
PubChem CID171511787
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namecis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccccn2)cc1-c1cnc2cccn2c1.[H][H]
InChIInChI=1S/C24H22N4O.H2/c1-16-7-8-18(13-21(16)17-14-26-23-6-4-12-28(23)15-17)27-24(29)20-10-9-19(20)22-5-2-3-11-25-22;/h2-8,11-15,19-20H,9-10H2,1H3,(H,27,29);1H/t19-,20+;/m0./s1
InChIKeyHPFHASFLUHRCSB-CMXBXVFLSA-N
XLogP5.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen?
The IUPAC name of cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen (CID 171511787) is cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen?
The canonical SMILES for cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen is Cc1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccccn2)cc1-c1cnc2cccn2c1.[H][H].
What is the InChIKey of cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen?
The InChIKey is HPFHASFLUHRCSB-CMXBXVFLSA-N. The full InChI is InChI=1S/C24H22N4O.H2/c1-16-7-8-18(13-21(16)17-14-26-23-6-4-12-28(23)15-17)27-24(29)20-10-9-19(20)22-5-2-3-11-25-22;/h2-8,11-15,19-20H,9-10H2,1H3,(H,27,29);1H/t19-,20+;/m0./s1.
What are the key properties of cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen?
cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen has a molecular weight of 384.48 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(4-methyl-3-pyrrolo[1,2-a]pyrimidin-3-ylphenyl)-2-pyridin-2-ylcyclobutane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 171511787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).