trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol

C22H26N4O2 — CID 170240867

IUPACtrans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol
SMILESCC1(c2cn3c(-c4cccc(N[C@H]5CCC[C@@H]5O)n4)cnc3cc2CO)CC1
InChIInChI=1S/C22H26N4O2/c1-22(8-9-22)15-12-26-18(11-23-21(26)10-14(15)13-27)16-4-3-7-20(24-16)25-17-5-2-6-19(17)28/h3-4,7,10-12,17,19,27-28H,2,5-6,8-9,13H2,1H3,(H,24,25)/t17-,19-/m0/s1
InChIKeyCKZDBKAQTXTANO-HKUYNNGSSA-N
MW378.48 g/mol
LogP3.27
Rot. Bonds5

About trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol

trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol (PubChem CID 170240867) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol
PubChem CID170240867
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Nametrans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol
SMILESCC1(c2cn3c(-c4cccc(N[C@H]5CCC[C@@H]5O)n4)cnc3cc2CO)CC1
InChIInChI=1S/C22H26N4O2/c1-22(8-9-22)15-12-26-18(11-23-21(26)10-14(15)13-27)16-4-3-7-20(24-16)25-17-5-2-6-19(17)28/h3-4,7,10-12,17,19,27-28H,2,5-6,8-9,13H2,1H3,(H,24,25)/t17-,19-/m0/s1
InChIKeyCKZDBKAQTXTANO-HKUYNNGSSA-N
XLogP3.27
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol (CID 170240867) is trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol is CC1(c2cn3c(-c4cccc(N[C@H]5CCC[C@@H]5O)n4)cnc3cc2CO)CC1.
What is the InChIKey of trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol?
The InChIKey is CKZDBKAQTXTANO-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(8-9-22)15-12-26-18(11-23-21(26)10-14(15)13-27)16-4-3-7-20(24-16)25-17-5-2-6-19(17)28/h3-4,7,10-12,17,19,27-28H,2,5-6,8-9,13H2,1H3,(H,24,25)/t17-,19-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol has a molecular weight of 378.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[6-[7-(hydroxymethyl)-6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 170240867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).