tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate

C29H35N5O3 — CID 66919510

IUPACtert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)c1ccc(-c2ccc3nn(C4CCCCO4)cc3c2-c2ccn[nH]2)cc1
InChIInChI=1S/C29H35N5O3/c1-19(17-30-28(35)37-29(2,3)4)20-8-10-21(11-9-20)22-12-13-24-23(27(22)25-14-15-31-32-25)18-34(33-24)26-7-5-6-16-36-26/h8-15,18-19,26H,5-7,16-17H2,1-4H3,(H,30,35)(H,31,32)
InChIKeyKXQNSTPKUBAUKX-UHFFFAOYSA-N
MW501.63 g/mol
LogP6.42
Rot. Bonds6

About tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate

tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate (PubChem CID 66919510) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate
PubChem CID66919510
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Nametert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)c1ccc(-c2ccc3nn(C4CCCCO4)cc3c2-c2ccn[nH]2)cc1
InChIInChI=1S/C29H35N5O3/c1-19(17-30-28(35)37-29(2,3)4)20-8-10-21(11-9-20)22-12-13-24-23(27(22)25-14-15-31-32-25)18-34(33-24)26-7-5-6-16-36-26/h8-15,18-19,26H,5-7,16-17H2,1-4H3,(H,30,35)(H,31,32)
InChIKeyKXQNSTPKUBAUKX-UHFFFAOYSA-N
XLogP6.42
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[4-[4-cyano-2-(oxan-2-yl)indazol-5-yl]phenyl]propyl]carbamate
CID 66919283
tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-pyridin-2-ylindazol-5-yl]phenyl]propan-2-yl]carbamate
CID 23134465
tert-butyl N-[2-[6-[1-(oxan-2-yl)-4-propoxyindazol-5-yl]-3-pyridinyl]propyl]carbamate
CID 66919334
tert-butyl N-[2-[2-[3-iodo-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethyl]carbamate
CID 140775204
tert-butyl N-[[6,7-dichloro-1-methyl-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-2-yl]methyl]carbamate
CID 170610037
tert-butyl N-[2-[[3-iodo-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl-methylamino]ethyl]carbamate
CID 90461440
methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate
CID 23134409
tert-butyl N-[3-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]propyl]carbamate
CID 155679613
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-[4-(2-cyclopropyl-6-methyl-5-nitro-3-pyridinyl)phenyl]propyl]carbamate;ethane
CID 171549687
5-bromo-4-methyl-2-[(2S)-oxan-2-yl]indazole
CID 97052372
tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate
CID 47057073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate (CID 66919510) is tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)c1ccc(-c2ccc3nn(C4CCCCO4)cc3c2-c2ccn[nH]2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate?
The InChIKey is KXQNSTPKUBAUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-19(17-30-28(35)37-29(2,3)4)20-8-10-21(11-9-20)22-12-13-24-23(27(22)25-14-15-31-32-25)18-34(33-24)26-7-5-6-16-36-26/h8-15,18-19,26H,5-7,16-17H2,1-4H3,(H,30,35)(H,31,32).
What are the key properties of tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate?
tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate has a molecular weight of 501.63 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-(oxan-2-yl)-4-(1H-pyrazol-5-yl)indazol-5-yl]phenyl]propyl]carbamate is sourced from PubChem (CID 66919510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).