N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C30H32N4O3 — CID 118473239

IUPACN-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnn2ccccc12)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C30H32N4O3/c1-21(32-30(35)28-18-31-34-16-3-2-4-29(28)34)23-7-11-26(12-8-23)37-27-15-17-33(19-27)24-9-13-25(14-10-24)36-20-22-5-6-22/h2-4,7-14,16,18,21-22,27H,5-6,15,17,19-20H2,1H3,(H,32,35)/t21-,27+/m0/s1
InChIKeyDPUMUGIGQZTWKI-KDYSTLNUSA-N
MW496.61 g/mol
LogP5.27
Rot. Bonds9

About N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 118473239) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID118473239
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnn2ccccc12)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C30H32N4O3/c1-21(32-30(35)28-18-31-34-16-3-2-4-29(28)34)23-7-11-26(12-8-23)37-27-15-17-33(19-27)24-9-13-25(14-10-24)36-20-22-5-6-22/h2-4,7-14,16,18,21-22,27H,5-6,15,17,19-20H2,1H3,(H,32,35)/t21-,27+/m0/s1
InChIKeyDPUMUGIGQZTWKI-KDYSTLNUSA-N
XLogP5.27
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 118473239) is N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is C[C@H](NC(=O)c1cnn2ccccc12)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DPUMUGIGQZTWKI-KDYSTLNUSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-21(32-30(35)28-18-31-34-16-3-2-4-29(28)34)23-7-11-26(12-8-23)37-27-15-17-33(19-27)24-9-13-25(14-10-24)36-20-22-5-6-22/h2-4,7-14,16,18,21-22,27H,5-6,15,17,19-20H2,1H3,(H,32,35)/t21-,27+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 118473239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).