(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol

C22H17N5OS — CID 163303231

IUPAC(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@]1(c2cccc(-c3nc(-c4c[nH]c5ncccc45)cs3)c2)CCn2ccnc21
InChIInChI=1S/C22H17N5OS/c28-22(6-9-27-10-8-24-21(22)27)15-4-1-3-14(11-15)20-26-18(13-29-20)17-12-25-19-16(17)5-2-7-23-19/h1-5,7-8,10-13,28H,6,9H2,(H,23,25)/t22-/m0/s1
InChIKeyUAJUIHWEZIBRFK-QFIPXVFZSA-N
MW399.48 g/mol
LogP4.19
Rot. Bonds3

About (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol

(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (PubChem CID 163303231) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
PubChem CID163303231
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC Name(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@]1(c2cccc(-c3nc(-c4c[nH]c5ncccc45)cs3)c2)CCn2ccnc21
InChIInChI=1S/C22H17N5OS/c28-22(6-9-27-10-8-24-21(22)27)15-4-1-3-14(11-15)20-26-18(13-29-20)17-12-25-19-16(17)5-2-7-23-19/h1-5,7-8,10-13,28H,6,9H2,(H,23,25)/t22-/m0/s1
InChIKeyUAJUIHWEZIBRFK-QFIPXVFZSA-N
XLogP4.19
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (CID 163303231) is (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.
What is the SMILES notation for (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is O[C@]1(c2cccc(-c3nc(-c4c[nH]c5ncccc45)cs3)c2)CCn2ccnc21.
What is the InChIKey of (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is UAJUIHWEZIBRFK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17N5OS/c28-22(6-9-27-10-8-24-21(22)27)15-4-1-3-14(11-15)20-26-18(13-29-20)17-12-25-19-16(17)5-2-7-23-19/h1-5,7-8,10-13,28H,6,9H2,(H,23,25)/t22-/m0/s1.
What are the key properties of (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol has a molecular weight of 399.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 163303231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).