trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine

C23H24N6O — CID 171767310

IUPACtrans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine
SMILESCOc1ccccc1-c1ccc(N[C@H]2CC[C@H](Nc3nc4ncccc4[nH]3)C2)nc1
InChIInChI=1S/C23H24N6O/c1-30-20-7-3-2-5-18(20)15-8-11-21(25-14-15)26-16-9-10-17(13-16)27-23-28-19-6-4-12-24-22(19)29-23/h2-8,11-12,14,16-17H,9-10,13H2,1H3,(H,25,26)(H2,24,27,28,29)/t16-,17-/m0/s1
InChIKeySWOPTRISRLQMSL-IRXDYDNUSA-N
MW400.49 g/mol
LogP4.47
Rot. Bonds6

About trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine (PubChem CID 171767310) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine
PubChem CID171767310
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Nametrans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine
SMILESCOc1ccccc1-c1ccc(N[C@H]2CC[C@H](Nc3nc4ncccc4[nH]3)C2)nc1
InChIInChI=1S/C23H24N6O/c1-30-20-7-3-2-5-18(20)15-8-11-21(25-14-15)26-16-9-10-17(13-16)27-23-28-19-6-4-12-24-22(19)29-23/h2-8,11-12,14,16-17H,9-10,13H2,1H3,(H,25,26)(H2,24,27,28,29)/t16-,17-/m0/s1
InChIKeySWOPTRISRLQMSL-IRXDYDNUSA-N
XLogP4.47
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine (CID 171767310) is trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine is COc1ccccc1-c1ccc(N[C@H]2CC[C@H](Nc3nc4ncccc4[nH]3)C2)nc1.
What is the InChIKey of trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine?
The InChIKey is SWOPTRISRLQMSL-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H24N6O/c1-30-20-7-3-2-5-18(20)15-8-11-21(25-14-15)26-16-9-10-17(13-16)27-23-28-19-6-4-12-24-22(19)29-23/h2-8,11-12,14,16-17H,9-10,13H2,1H3,(H,25,26)(H2,24,27,28,29)/t16-,17-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine has a molecular weight of 400.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171767310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).