2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine

C25H35N7 — CID 131671379

IUPAC2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
SMILESCCn1cc(CN2CCN(CC3CC3)C(c3cn4c(N5CCCC5)cccc4n3)C2)cn1
InChIInChI=1S/C25H35N7/c1-2-31-17-21(14-26-31)15-28-12-13-30(16-20-8-9-20)23(19-28)22-18-32-24(27-22)6-5-7-25(32)29-10-3-4-11-29/h5-7,14,17-18,20,23H,2-4,8-13,15-16,19H2,1H3
InChIKeySRPFWEPHQXSKAW-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.42
Rot. Bonds7

About 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine

2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine (PubChem CID 131671379) has the molecular formula C25H35N7 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
PubChem CID131671379
Molecular FormulaC25H35N7
Molecular Weight433.60 g/mol
Exact Mass433.30
IUPAC Name2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
SMILESCCn1cc(CN2CCN(CC3CC3)C(c3cn4c(N5CCCC5)cccc4n3)C2)cn1
InChIInChI=1S/C25H35N7/c1-2-31-17-21(14-26-31)15-28-12-13-30(16-20-8-9-20)23(19-28)22-18-32-24(27-22)6-5-7-25(32)29-10-3-4-11-29/h5-7,14,17-18,20,23H,2-4,8-13,15-16,19H2,1H3
InChIKeySRPFWEPHQXSKAW-UHFFFAOYSA-N
XLogP3.42
TPSA44.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171694151
2-[1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
CID 131671372
2-[1-(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
CID 131671380
4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)
CID 155831488
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane
CID 133470421
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine (CID 131671379) is 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine is CCn1cc(CN2CCN(CC3CC3)C(c3cn4c(N5CCCC5)cccc4n3)C2)cn1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The InChIKey is SRPFWEPHQXSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7/c1-2-31-17-21(14-26-31)15-28-12-13-30(16-20-8-9-20)23(19-28)22-18-32-24(27-22)6-5-7-25(32)29-10-3-4-11-29/h5-7,14,17-18,20,23H,2-4,8-13,15-16,19H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine has a molecular weight of 433.60 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 131671379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).