[4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

C25H26ClN5O2 — CID 140914576

IUPAC[4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NCc5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-33-24-10-17(16-32)21(12-22(24)26)23-15-31-9-6-20(11-25(31)29-23)30-8-5-19(14-30)28-13-18-4-2-3-7-27-18/h2-4,6-7,9-12,15,19,28,32H,5,8,13-14,16H2,1H3/t19-/m0/s1
InChIKeyNZTCVHLJVKRTCO-IBGZPJMESA-N
MW463.97 g/mol
LogP3.92
Rot. Bonds7

About [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol

[4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (PubChem CID 140914576) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
PubChem CID140914576
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name[4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NCc5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-33-24-10-17(16-32)21(12-22(24)26)23-15-31-9-6-20(11-25(31)29-23)30-8-5-19(14-30)28-13-18-4-2-3-7-27-18/h2-4,6-7,9-12,15,19,28,32H,5,8,13-14,16H2,1H3/t19-/m0/s1
InChIKeyNZTCVHLJVKRTCO-IBGZPJMESA-N
XLogP3.92
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The IUPAC name of [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol (CID 140914576) is [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The canonical SMILES for [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NCc5ccccn5)C4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
The InChIKey is NZTCVHLJVKRTCO-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-33-24-10-17(16-32)21(12-22(24)26)23-15-31-9-6-20(11-25(31)29-23)30-8-5-19(14-30)28-13-18-4-2-3-7-27-18/h2-4,6-7,9-12,15,19,28,32H,5,8,13-14,16H2,1H3/t19-/m0/s1.
What are the key properties of [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol?
[4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol has a molecular weight of 463.97 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-[7-[(3S)-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol is sourced from PubChem (CID 140914576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).