propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

C19H22N6O3 — CID 118395269

IUPACpropan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCC(C)OC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C19H22N6O3/c1-11(2)28-19(27)23-17-14-10-20-16(9-15(14)24-25-17)22-18(26)21-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,20,21,22,26)(H2,23,24,25,27)/t12-/m1/s1
InChIKeyMHRFOQDJPOWTAE-GFCCVEGCSA-N
MW382.42 g/mol
LogP3.80
Rot. Bonds5

About propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate

propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (PubChem CID 118395269) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
PubChem CID118395269
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Namepropan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
SMILESCC(C)OC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C19H22N6O3/c1-11(2)28-19(27)23-17-14-10-20-16(9-15(14)24-25-17)22-18(26)21-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,20,21,22,26)(H2,23,24,25,27)/t12-/m1/s1
InChIKeyMHRFOQDJPOWTAE-GFCCVEGCSA-N
XLogP3.80
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The IUPAC name of propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate (CID 118395269) is propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The canonical SMILES for propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is CC(C)OC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.
What is the InChIKey of propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
The InChIKey is MHRFOQDJPOWTAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11(2)28-19(27)23-17-14-10-20-16(9-15(14)24-25-17)22-18(26)21-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,20,21,22,26)(H2,23,24,25,27)/t12-/m1/s1.
What are the key properties of propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate?
propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate has a molecular weight of 382.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate is sourced from PubChem (CID 118395269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).