N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide

C27H27F2N5O2 — CID 56591202

IUPACN-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCN(Cc5c(F)cccc5F)C4)cc23)cn1
InChIInChI=1S/C27H27F2N5O2/c1-16(2)36-25-9-7-18(13-30-25)26-20-12-17(6-8-24(20)32-33-26)27(35)31-19-10-11-34(14-19)15-21-22(28)4-3-5-23(21)29/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3,(H,31,35)(H,32,33)/t19-/m1/s1
InChIKeyVVZRGVADBGWXKF-LJQANCHMSA-N
MW491.54 g/mol
LogP4.69
Rot. Bonds7

About N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide

N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 56591202) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID56591202
Molecular FormulaC27H27F2N5O2
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCN(Cc5c(F)cccc5F)C4)cc23)cn1
InChIInChI=1S/C27H27F2N5O2/c1-16(2)36-25-9-7-18(13-30-25)26-20-12-17(6-8-24(20)32-33-26)27(35)31-19-10-11-34(14-19)15-21-22(28)4-3-5-23(21)29/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3,(H,31,35)(H,32,33)/t19-/m1/s1
InChIKeyVVZRGVADBGWXKF-LJQANCHMSA-N
XLogP4.69
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide (CID 56591202) is N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide is CC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCN(Cc5c(F)cccc5F)C4)cc23)cn1.
What is the InChIKey of N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is VVZRGVADBGWXKF-LJQANCHMSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-16(2)36-25-9-7-18(13-30-25)26-20-12-17(6-8-24(20)32-33-26)27(35)31-19-10-11-34(14-19)15-21-22(28)4-3-5-23(21)29/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3,(H,31,35)(H,32,33)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 491.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]-3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).