6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone

C27H25N7O2 — CID 161304597

IUPAC6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone
SMILESCOCc1ccnc(-c2ccnc(Cc3ccc4[nH]c(C(=O)N5CCn6ccnc6C5)cc4c3)n2)c1
InChIInChI=1S/C27H25N7O2/c1-36-17-19-4-6-28-23(13-19)22-5-7-29-25(32-22)14-18-2-3-21-20(12-18)15-24(31-21)27(35)34-11-10-33-9-8-30-26(33)16-34/h2-9,12-13,15,31H,10-11,14,16-17H2,1H3
InChIKeyVIBQUTRVVCVPDO-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.61
Rot. Bonds6

About 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone (PubChem CID 161304597) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone
PubChem CID161304597
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone
SMILESCOCc1ccnc(-c2ccnc(Cc3ccc4[nH]c(C(=O)N5CCn6ccnc6C5)cc4c3)n2)c1
InChIInChI=1S/C27H25N7O2/c1-36-17-19-4-6-28-23(13-19)22-5-7-29-25(32-22)14-18-2-3-21-20(12-18)15-24(31-21)27(35)34-11-10-33-9-8-30-26(33)16-34/h2-9,12-13,15,31H,10-11,14,16-17H2,1H3
InChIKeyVIBQUTRVVCVPDO-UHFFFAOYSA-N
XLogP3.61
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone (CID 161304597) is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone is COCc1ccnc(-c2ccnc(Cc3ccc4[nH]c(C(=O)N5CCn6ccnc6C5)cc4c3)n2)c1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone?
The InChIKey is VIBQUTRVVCVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-36-17-19-4-6-28-23(13-19)22-5-7-29-25(32-22)14-18-2-3-21-20(12-18)15-24(31-21)27(35)34-11-10-33-9-8-30-26(33)16-34/h2-9,12-13,15,31H,10-11,14,16-17H2,1H3.
What are the key properties of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone?
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone has a molecular weight of 479.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]methyl]-1H-indol-2-yl]methanone is sourced from PubChem (CID 161304597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).