9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate

C26H25N5O2 — CID 165499562

IUPAC9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Nc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C26H25N5O2/c32-26(33-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22)31-14-11-17(12-15-31)28-25-29-23-10-5-13-27-24(23)30-25/h1-10,13,17,22H,11-12,14-16H2,(H2,27,28,29,30)
InChIKeyWXVNMPHVZQMSSZ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.78
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate

9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate (PubChem CID 165499562) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate
PubChem CID165499562
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Nc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C26H25N5O2/c32-26(33-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22)31-14-11-17(12-15-31)28-25-29-23-10-5-13-27-24(23)30-25/h1-10,13,17,22H,11-12,14-16H2,(H2,27,28,29,30)
InChIKeyWXVNMPHVZQMSSZ-UHFFFAOYSA-N
XLogP4.78
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate
CID 67872364
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637244
9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride
CID 69216384
5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
CID 167737812

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate (CID 165499562) is 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(Nc2nc3ncccc3[nH]2)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate?
The InChIKey is WXVNMPHVZQMSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-26(33-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22)31-14-11-17(12-15-31)28-25-29-23-10-5-13-27-24(23)30-25/h1-10,13,17,22H,11-12,14-16H2,(H2,27,28,29,30).
What are the key properties of 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate has a molecular weight of 439.52 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 165499562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).